4-[(2-carboxybenzoyl)amino]-2-phenylmethoxybenzoic acid

C22H17NO6 — CID 66574423

IUPAC4-[(2-carboxybenzoyl)amino]-2-phenylmethoxybenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1OCc1ccccc1
InChIInChI=1S/C22H17NO6/c24-20(16-8-4-5-9-17(16)21(25)26)23-15-10-11-18(22(27)28)19(12-15)29-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,23,24)(H,25,26)(H,27,28)
InChIKeyDJIGHAZAWWQTNL-UHFFFAOYSA-N
MW391.38 g/mol
LogP3.91
Rot. Bonds7

About 4-[(2-carboxybenzoyl)amino]-2-phenylmethoxybenzoic acid

4-[(2-carboxybenzoyl)amino]-2-phenylmethoxybenzoic acid (PubChem CID 66574423) has the molecular formula C22H17NO6 and a molecular weight of 391.38 g/mol. Its IUPAC name is 4-[(2-carboxybenzoyl)amino]-2-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name4-[(2-carboxybenzoyl)amino]-2-phenylmethoxybenzoic acid
PubChem CID66574423
Molecular FormulaC22H17NO6
Molecular Weight391.38 g/mol
Exact Mass391.11
IUPAC Name4-[(2-carboxybenzoyl)amino]-2-phenylmethoxybenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1OCc1ccccc1
InChIInChI=1S/C22H17NO6/c24-20(16-8-4-5-9-17(16)21(25)26)23-15-10-11-18(22(27)28)19(12-15)29-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,23,24)(H,25,26)(H,27,28)
InChIKeyDJIGHAZAWWQTNL-UHFFFAOYSA-N
XLogP3.91
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate
CID 7033170
2-[6-[(2-phenylmethoxybenzoyl)amino]naphthalen-2-yl]oxyacetic acid
CID 10137340
4-bromo-N-(3-chlorophenyl)-2-phenylmethoxybenzamide
CID 11327512
N-(4-benzamido-3-phenylmethoxyphenyl)benzamide
CID 5314877
N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69250543
N-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69249899
2-phenylmethoxy-N,4-dipyridin-4-ylbenzamide
CID 135143390
2-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1328288
2-[3-(4-acetamido-2-phenylmethoxyphenyl)propyl]benzoic acid
CID 67659334
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
2-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 615692
methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate
CID 4946351

Frequently Asked Questions

What is the IUPAC name of 4-[(2-carboxybenzoyl)amino]-2-phenylmethoxybenzoic acid?
The IUPAC name of 4-[(2-carboxybenzoyl)amino]-2-phenylmethoxybenzoic acid (CID 66574423) is 4-[(2-carboxybenzoyl)amino]-2-phenylmethoxybenzoic acid.
What is the SMILES notation for 4-[(2-carboxybenzoyl)amino]-2-phenylmethoxybenzoic acid?
The canonical SMILES for 4-[(2-carboxybenzoyl)amino]-2-phenylmethoxybenzoic acid is O=C(O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1OCc1ccccc1.
What is the InChIKey of 4-[(2-carboxybenzoyl)amino]-2-phenylmethoxybenzoic acid?
The InChIKey is DJIGHAZAWWQTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO6/c24-20(16-8-4-5-9-17(16)21(25)26)23-15-10-11-18(22(27)28)19(12-15)29-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,23,24)(H,25,26)(H,27,28).
What are the key properties of 4-[(2-carboxybenzoyl)amino]-2-phenylmethoxybenzoic acid?
4-[(2-carboxybenzoyl)amino]-2-phenylmethoxybenzoic acid has a molecular weight of 391.38 g/mol, XLogP of 3.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-carboxybenzoyl)amino]-2-phenylmethoxybenzoic acid is sourced from PubChem (CID 66574423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).