5-[(4-chloro-3-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid

C17H15ClFNO4 — CID 24994059

IUPAC5-[(4-chloro-3-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid
SMILESCCC(=O)Nc1ccc(OCc2ccc(Cl)c(F)c2)cc1C(=O)O
InChIInChI=1S/C17H15ClFNO4/c1-2-16(21)20-15-6-4-11(8-12(15)17(22)23)24-9-10-3-5-13(18)14(19)7-10/h3-8H,2,9H2,1H3,(H,20,21)(H,22,23)
InChIKeyAPRMWKRDPIKKIZ-UHFFFAOYSA-N
MW351.76 g/mol
LogP4.10
Rot. Bonds6

About 5-[(4-chloro-3-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid

5-[(4-chloro-3-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid (PubChem CID 24994059) has the molecular formula C17H15ClFNO4 and a molecular weight of 351.76 g/mol. Its IUPAC name is 5-[(4-chloro-3-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid.

Molecular Properties

Compound Name5-[(4-chloro-3-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid
PubChem CID24994059
Molecular FormulaC17H15ClFNO4
Molecular Weight351.76 g/mol
Exact Mass351.07
IUPAC Name5-[(4-chloro-3-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid
SMILESCCC(=O)Nc1ccc(OCc2ccc(Cl)c(F)c2)cc1C(=O)O
InChIInChI=1S/C17H15ClFNO4/c1-2-16(21)20-15-6-4-11(8-12(15)17(22)23)24-9-10-3-5-13(18)14(19)7-10/h3-8H,2,9H2,1H3,(H,20,21)(H,22,23)
InChIKeyAPRMWKRDPIKKIZ-UHFFFAOYSA-N
XLogP4.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.76
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[3-chloro-4-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid
CID 67175154
5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid
CID 24994056
5-[(4-chloro-3-fluorophenoxy)methyl]-2-(cyclopropanecarbonylamino)benzoic acid
CID 24992129
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
2-(propanoylamino)-5-[[3-(propylamino)phenyl]methoxy]benzoic acid
CID 22033742
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
methyl 4-[(4-chloro-3-fluorophenoxy)methyl]-2-fluorobenzoate
CID 106698483
5-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-2-(propanoylamino)benzoic acid
CID 24995613
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-chloro-3-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 107881627
4-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]butan-2-one
CID 107881269
2-chloro-5-[[4-(hydroxymethyl)phenyl]methoxy]benzoic acid
CID 106500475

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid?
The IUPAC name of 5-[(4-chloro-3-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid (CID 24994059) is 5-[(4-chloro-3-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid.
What is the SMILES notation for 5-[(4-chloro-3-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid?
The canonical SMILES for 5-[(4-chloro-3-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid is CCC(=O)Nc1ccc(OCc2ccc(Cl)c(F)c2)cc1C(=O)O.
What is the InChIKey of 5-[(4-chloro-3-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid?
The InChIKey is APRMWKRDPIKKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO4/c1-2-16(21)20-15-6-4-11(8-12(15)17(22)23)24-9-10-3-5-13(18)14(19)7-10/h3-8H,2,9H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 5-[(4-chloro-3-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid?
5-[(4-chloro-3-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid has a molecular weight of 351.76 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid is sourced from PubChem (CID 24994059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).