5-[(4-bromo-2-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3-chloro-4-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3,4-dichlorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid;5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid

C87H75BrCl3F10N5O20 — CID 173132679

IUPAC5-[(4-bromo-2-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3-chloro-4-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3,4-dichlorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid;5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid
SMILESCCC(=O)Nc1ccc(OCc2ccc(Br)cc2F)cc1C(=O)O.CCC(=O)Nc1ccc(OCc2ccc(C(F)(F)F)c(F)c2)cc1C(=O)O.CCC(=O)Nc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1C(=O)O.CCC(=O)Nc1ccc(OCc2ccc(F)c(C(F)(F)F)c2)cc1C(=O)O.CCC(=O)Nc1ccc(OCc2ccc(F)c(Cl)c2)cc1C(=O)O
InChIInChI=1S/2C18H15F4NO4.C17H15BrFNO4.C17H15Cl2NO4.C17H15ClFNO4/c1-2-16(24)23-15-6-4-11(8-12(15)17(25)26)27-9-10-3-5-14(19)13(7-10)18(20,21)22;1-2-16(24)23-15-6-4-11(8-12(15)17(25)26)27-9-10-3-5-13(14(19)7-10)18(20,21)22;1-2-16(21)20-15-6-5-12(8-13(15)17(22)23)24-9-10-3-4-11(18)7-14(10)19;1-2-16(21)20-15-6-4-11(8-12(15)17(22)23)24-9-10-3-5-13(18)14(19)7-10;1-2-16(21)20-15-6-4-11(8-12(15)17(22)23)24-9-10-3-5-14(19)13(18)7-10/h2*3-8H,2,9H2,1H3,(H,23,24)(H,25,26);3*3-8H,2,9H2,1H3,(H,20,21)(H,22,23)
InChIKeyMNXUOBWLSCABJZ-UHFFFAOYSA-N
MW1886.81 g/mol
LogP21.88
Rot. Bonds30

About 5-[(4-bromo-2-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3-chloro-4-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3,4-dichlorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid;5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid

5-[(4-bromo-2-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3-chloro-4-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3,4-dichlorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid;5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid (PubChem CID 173132679) has the molecular formula C87H75BrCl3F10N5O20 and a molecular weight of 1886.81 g/mol. Its IUPAC name is 5-[(4-bromo-2-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3-chloro-4-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3,4-dichlorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid;5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid.

Molecular Properties

Compound Name5-[(4-bromo-2-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3-chloro-4-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3,4-dichlorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid;5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid
PubChem CID173132679
Molecular FormulaC87H75BrCl3F10N5O20
Molecular Weight1886.81 g/mol
Exact Mass1883.31
IUPAC Name5-[(4-bromo-2-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3-chloro-4-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3,4-dichlorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid;5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid
SMILESCCC(=O)Nc1ccc(OCc2ccc(Br)cc2F)cc1C(=O)O.CCC(=O)Nc1ccc(OCc2ccc(C(F)(F)F)c(F)c2)cc1C(=O)O.CCC(=O)Nc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1C(=O)O.CCC(=O)Nc1ccc(OCc2ccc(F)c(C(F)(F)F)c2)cc1C(=O)O.CCC(=O)Nc1ccc(OCc2ccc(F)c(Cl)c2)cc1C(=O)O
InChIInChI=1S/2C18H15F4NO4.C17H15BrFNO4.C17H15Cl2NO4.C17H15ClFNO4/c1-2-16(24)23-15-6-4-11(8-12(15)17(25)26)27-9-10-3-5-14(19)13(7-10)18(20,21)22;1-2-16(24)23-15-6-4-11(8-12(15)17(25)26)27-9-10-3-5-13(14(19)7-10)18(20,21)22;1-2-16(21)20-15-6-5-12(8-13(15)17(22)23)24-9-10-3-4-11(18)7-14(10)19;1-2-16(21)20-15-6-4-11(8-12(15)17(22)23)24-9-10-3-5-13(18)14(19)7-10;1-2-16(21)20-15-6-4-11(8-12(15)17(22)23)24-9-10-3-5-14(19)13(18)7-10/h2*3-8H,2,9H2,1H3,(H,23,24)(H,25,26);3*3-8H,2,9H2,1H3,(H,20,21)(H,22,23)
InChIKeyMNXUOBWLSCABJZ-UHFFFAOYSA-N
XLogP21.88
TPSA378.15 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds30
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001886.81
LogP ≤ 521.88
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

Analyze 5-[(4-bromo-2-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3-chloro-4-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3,4-dichlorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid;5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid with MolForge

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Related Compounds

5-[(4-bromo-3-chlorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[[4-bromo-2-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid;5-[(4-chloro-2-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(2,4-difluorophenyl)methoxy]-2-(propanoylamino)benzoic acid
CID 173132373
5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid
CID 24994056
5-[[3-chloro-4-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid
CID 67175154
5-[(4-chloro-3-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid
CID 24994059
5-[(3-bromo-4-chlorophenoxy)methyl]-2-(propanoylamino)benzoic acid;5-[(3-bromo-4-fluorophenoxy)methyl]-2-(propanoylamino)benzoic acid;5-[[3-bromo-4-(trifluoromethyl)phenoxy]methyl]-2-(propanoylamino)benzoic acid;5-[(3,4-dibromophenoxy)methyl]-2-(propanoylamino)benzoic acid
CID 173132665
5-[(4-bromo-2-fluorophenyl)methoxy]-2-chlorobenzoic acid
CID 106500714
5-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-2-(propanoylamino)benzoic acid
CID 24995613
3,5-dichloro-4-[[2-chloro-5-[(4-chloro-2-fluorophenyl)methoxy]benzoyl]amino]benzoic acid
CID 78319503
5-[(4-bromo-2-chlorophenyl)methoxy]-2-(cyclopropanecarbonylamino)benzoic acid
CID 24994990
N-(4-bromo-2-fluorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 4270758
2-chloro-5-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 90329310
4-[(3-chloro-4-fluorophenoxy)methyl]-3-fluorobenzoic acid
CID 63879027

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3-chloro-4-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3,4-dichlorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid;5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid?
The IUPAC name of 5-[(4-bromo-2-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3-chloro-4-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3,4-dichlorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid;5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid (CID 173132679) is 5-[(4-bromo-2-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3-chloro-4-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3,4-dichlorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid;5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid.
What is the SMILES notation for 5-[(4-bromo-2-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3-chloro-4-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3,4-dichlorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid;5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid?
The canonical SMILES for 5-[(4-bromo-2-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3-chloro-4-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3,4-dichlorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid;5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid is CCC(=O)Nc1ccc(OCc2ccc(Br)cc2F)cc1C(=O)O.CCC(=O)Nc1ccc(OCc2ccc(C(F)(F)F)c(F)c2)cc1C(=O)O.CCC(=O)Nc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1C(=O)O.CCC(=O)Nc1ccc(OCc2ccc(F)c(C(F)(F)F)c2)cc1C(=O)O.CCC(=O)Nc1ccc(OCc2ccc(F)c(Cl)c2)cc1C(=O)O.
What is the InChIKey of 5-[(4-bromo-2-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3-chloro-4-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3,4-dichlorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid;5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid?
The InChIKey is MNXUOBWLSCABJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15F4NO4.C17H15BrFNO4.C17H15Cl2NO4.C17H15ClFNO4/c1-2-16(24)23-15-6-4-11(8-12(15)17(25)26)27-9-10-3-5-14(19)13(7-10)18(20,21)22;1-2-16(24)23-15-6-4-11(8-12(15)17(25)26)27-9-10-3-5-13(14(19)7-10)18(20,21)22;1-2-16(21)20-15-6-5-12(8-13(15)17(22)23)24-9-10-3-4-11(18)7-14(10)19;1-2-16(21)20-15-6-4-11(8-12(15)17(22)23)24-9-10-3-5-13(18)14(19)7-10;1-2-16(21)20-15-6-4-11(8-12(15)17(22)23)24-9-10-3-5-14(19)13(18)7-10/h2*3-8H,2,9H2,1H3,(H,23,24)(H,25,26);3*3-8H,2,9H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 5-[(4-bromo-2-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3-chloro-4-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3,4-dichlorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid;5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid?
5-[(4-bromo-2-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3-chloro-4-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3,4-dichlorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid;5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid has a molecular weight of 1886.81 g/mol, XLogP of 21.88, 30 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3-chloro-4-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[(3,4-dichlorophenyl)methoxy]-2-(propanoylamino)benzoic acid;5-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid;5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid is sourced from PubChem (CID 173132679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).