5-[(4-chloro-3-fluorophenoxy)methyl]-2-(cyclopropanecarbonylamino)benzoic acid

C18H15ClFNO4 — CID 24992129

IUPAC5-[(4-chloro-3-fluorophenoxy)methyl]-2-(cyclopropanecarbonylamino)benzoic acid
SMILESO=C(O)c1cc(COc2ccc(Cl)c(F)c2)ccc1NC(=O)C1CC1
InChIInChI=1S/C18H15ClFNO4/c19-14-5-4-12(8-15(14)20)25-9-10-1-6-16(13(7-10)18(23)24)21-17(22)11-2-3-11/h1,4-8,11H,2-3,9H2,(H,21,22)(H,23,24)
InChIKeyMWWCSRNAUKLSNT-UHFFFAOYSA-N
MW363.77 g/mol
LogP4.10
Rot. Bonds6

About 5-[(4-chloro-3-fluorophenoxy)methyl]-2-(cyclopropanecarbonylamino)benzoic acid

5-[(4-chloro-3-fluorophenoxy)methyl]-2-(cyclopropanecarbonylamino)benzoic acid (PubChem CID 24992129) has the molecular formula C18H15ClFNO4 and a molecular weight of 363.77 g/mol. Its IUPAC name is 5-[(4-chloro-3-fluorophenoxy)methyl]-2-(cyclopropanecarbonylamino)benzoic acid.

Molecular Properties

Compound Name5-[(4-chloro-3-fluorophenoxy)methyl]-2-(cyclopropanecarbonylamino)benzoic acid
PubChem CID24992129
Molecular FormulaC18H15ClFNO4
Molecular Weight363.77 g/mol
Exact Mass363.07
IUPAC Name5-[(4-chloro-3-fluorophenoxy)methyl]-2-(cyclopropanecarbonylamino)benzoic acid
SMILESO=C(O)c1cc(COc2ccc(Cl)c(F)c2)ccc1NC(=O)C1CC1
InChIInChI=1S/C18H15ClFNO4/c19-14-5-4-12(8-15(14)20)25-9-10-1-6-16(13(7-10)18(23)24)21-17(22)11-2-3-11/h1,4-8,11H,2-3,9H2,(H,21,22)(H,23,24)
InChIKeyMWWCSRNAUKLSNT-UHFFFAOYSA-N
XLogP4.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.77
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-chloro-3-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid
CID 24994059
5-[(4-bromo-2-fluorophenoxy)methyl]-2-(cyclopropanecarbonylamino)benzoic acid
CID 24992128
5-[(4-bromo-2-chlorophenyl)methoxy]-2-(cyclopropanecarbonylamino)benzoic acid
CID 24994990
5-[[2-bromo-4-(trifluoromethyl)phenoxy]methyl]-2-(cyclopropanecarbonylamino)benzoic acid
CID 67175276
methyl 4-[(4-chloro-3-fluorophenoxy)methyl]-2-fluorobenzoate
CID 106698483
5-[2-(3-chloro-4-fluorophenyl)ethenyl]-2-(cyclopropanecarbonylamino)benzoic acid
CID 67175470
4-[4-[(4-chloro-3-fluorophenoxy)methyl]pyrazol-1-yl]-N-(6-chloroquinolin-2-yl)cyclohexane-1-carboxamide
CID 167409037
N-(4-chloro-3-fluorophenyl)cyclopropanecarboxamide
CID 60776243
5-chloro-2-(cyclobutanecarbonylamino)benzoic acid
CID 16775751
5-[[3-chloro-4-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid
CID 67175154
2-chloro-5-(phenoxymethyl)benzoic acid
CID 117221772
2-fluoro-5-[(3-fluoro-4-methylphenoxy)methyl]benzoic acid
CID 107881304

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-fluorophenoxy)methyl]-2-(cyclopropanecarbonylamino)benzoic acid?
The IUPAC name of 5-[(4-chloro-3-fluorophenoxy)methyl]-2-(cyclopropanecarbonylamino)benzoic acid (CID 24992129) is 5-[(4-chloro-3-fluorophenoxy)methyl]-2-(cyclopropanecarbonylamino)benzoic acid.
What is the SMILES notation for 5-[(4-chloro-3-fluorophenoxy)methyl]-2-(cyclopropanecarbonylamino)benzoic acid?
The canonical SMILES for 5-[(4-chloro-3-fluorophenoxy)methyl]-2-(cyclopropanecarbonylamino)benzoic acid is O=C(O)c1cc(COc2ccc(Cl)c(F)c2)ccc1NC(=O)C1CC1.
What is the InChIKey of 5-[(4-chloro-3-fluorophenoxy)methyl]-2-(cyclopropanecarbonylamino)benzoic acid?
The InChIKey is MWWCSRNAUKLSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO4/c19-14-5-4-12(8-15(14)20)25-9-10-1-6-16(13(7-10)18(23)24)21-17(22)11-2-3-11/h1,4-8,11H,2-3,9H2,(H,21,22)(H,23,24).
What are the key properties of 5-[(4-chloro-3-fluorophenoxy)methyl]-2-(cyclopropanecarbonylamino)benzoic acid?
5-[(4-chloro-3-fluorophenoxy)methyl]-2-(cyclopropanecarbonylamino)benzoic acid has a molecular weight of 363.77 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-fluorophenoxy)methyl]-2-(cyclopropanecarbonylamino)benzoic acid is sourced from PubChem (CID 24992129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).