3-[[4-[(4-fluorophenyl)methoxy]benzoyl]amino]benzoic acid

C21H16FNO4 — CID 139501079

IUPAC3-[[4-[(4-fluorophenyl)methoxy]benzoyl]amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2ccc(OCc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C21H16FNO4/c22-17-8-4-14(5-9-17)13-27-19-10-6-15(7-11-19)20(24)23-18-3-1-2-16(12-18)21(25)26/h1-12H,13H2,(H,23,24)(H,25,26)
InChIKeyLCEAHADSDAAFBH-UHFFFAOYSA-N
MW365.36 g/mol
LogP4.36
Rot. Bonds6

About 3-[[4-[(4-fluorophenyl)methoxy]benzoyl]amino]benzoic acid

3-[[4-[(4-fluorophenyl)methoxy]benzoyl]amino]benzoic acid (PubChem CID 139501079) has the molecular formula C21H16FNO4 and a molecular weight of 365.36 g/mol. Its IUPAC name is 3-[[4-[(4-fluorophenyl)methoxy]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[4-[(4-fluorophenyl)methoxy]benzoyl]amino]benzoic acid
PubChem CID139501079
Molecular FormulaC21H16FNO4
Molecular Weight365.36 g/mol
Exact Mass365.11
IUPAC Name3-[[4-[(4-fluorophenyl)methoxy]benzoyl]amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2ccc(OCc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C21H16FNO4/c22-17-8-4-14(5-9-17)13-27-19-10-6-15(7-11-19)20(24)23-18-3-1-2-16(12-18)21(25)26/h1-12H,13H2,(H,23,24)(H,25,26)
InChIKeyLCEAHADSDAAFBH-UHFFFAOYSA-N
XLogP4.36
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 78779054
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
4-[[3-[(2,6-difluorobenzoyl)amino]phenoxy]methyl]benzoic acid
CID 141120818
3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide
CID 46594970
N-[3-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]benzamide
CID 110006010
4-[(4-chlorophenyl)methoxy]-N-[3-(2-hydroxyacetyl)phenyl]benzamide
CID 23354553
N-[4-(cyclopropylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 46553769
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945
N-[(3-benzamidophenyl)carbamothioyl]-4-phenylmethoxybenzamide
CID 17113536
4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086755
N-(3-phenylmethoxyphenyl)-4-propoxybenzamide
CID 17086082
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(4-fluorophenyl)methoxy]benzoyl]amino]benzoic acid?
The IUPAC name of 3-[[4-[(4-fluorophenyl)methoxy]benzoyl]amino]benzoic acid (CID 139501079) is 3-[[4-[(4-fluorophenyl)methoxy]benzoyl]amino]benzoic acid.
What is the SMILES notation for 3-[[4-[(4-fluorophenyl)methoxy]benzoyl]amino]benzoic acid?
The canonical SMILES for 3-[[4-[(4-fluorophenyl)methoxy]benzoyl]amino]benzoic acid is O=C(O)c1cccc(NC(=O)c2ccc(OCc3ccc(F)cc3)cc2)c1.
What is the InChIKey of 3-[[4-[(4-fluorophenyl)methoxy]benzoyl]amino]benzoic acid?
The InChIKey is LCEAHADSDAAFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO4/c22-17-8-4-14(5-9-17)13-27-19-10-6-15(7-11-19)20(24)23-18-3-1-2-16(12-18)21(25)26/h1-12H,13H2,(H,23,24)(H,25,26).
What are the key properties of 3-[[4-[(4-fluorophenyl)methoxy]benzoyl]amino]benzoic acid?
3-[[4-[(4-fluorophenyl)methoxy]benzoyl]amino]benzoic acid has a molecular weight of 365.36 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(4-fluorophenyl)methoxy]benzoyl]amino]benzoic acid is sourced from PubChem (CID 139501079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).