5-chloro-2-[[2-(3-phenylphenoxy)acetyl]amino]benzoic acid

C21H16ClNO4 — CID 66680457

IUPAC5-chloro-2-[[2-(3-phenylphenoxy)acetyl]amino]benzoic acid
SMILESO=C(COc1cccc(-c2ccccc2)c1)Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C21H16ClNO4/c22-16-9-10-19(18(12-16)21(25)26)23-20(24)13-27-17-8-4-7-15(11-17)14-5-2-1-3-6-14/h1-12H,13H2,(H,23,24)(H,25,26)
InChIKeyOPBRCNMQCMRJMR-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.72
Rot. Bonds6

About 5-chloro-2-[[2-(3-phenylphenoxy)acetyl]amino]benzoic acid

5-chloro-2-[[2-(3-phenylphenoxy)acetyl]amino]benzoic acid (PubChem CID 66680457) has the molecular formula C21H16ClNO4 and a molecular weight of 381.82 g/mol. Its IUPAC name is 5-chloro-2-[[2-(3-phenylphenoxy)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[[2-(3-phenylphenoxy)acetyl]amino]benzoic acid
PubChem CID66680457
Molecular FormulaC21H16ClNO4
Molecular Weight381.82 g/mol
Exact Mass381.08
IUPAC Name5-chloro-2-[[2-(3-phenylphenoxy)acetyl]amino]benzoic acid
SMILESO=C(COc1cccc(-c2ccccc2)c1)Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C21H16ClNO4/c22-16-9-10-19(18(12-16)21(25)26)23-20(24)13-27-17-8-4-7-15(11-17)14-5-2-1-3-6-14/h1-12H,13H2,(H,23,24)(H,25,26)
InChIKeyOPBRCNMQCMRJMR-UHFFFAOYSA-N
XLogP4.72
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 46935642
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CID 19169901
2-(3-chlorophenoxy)-N-(2-phenylphenyl)acetamide
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5-chloro-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoic acid
CID 2233863
2-[[2-(4-bromophenoxy)acetyl]amino]-5-chlorobenzoic acid
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N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide
CID 1247989
CID 66877598
CID 66877598
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzoic acid
CID 11438700
2-[[2-(3,5-dichlorophenoxy)acetyl]amino]benzoic acid
CID 11302225
2-[[2-(3-nitrophenoxy)acetyl]amino]benzoic acid
CID 877684
5-chloro-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoate
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N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)acetamide
CID 2707661

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(3-phenylphenoxy)acetyl]amino]benzoic acid?
The IUPAC name of 5-chloro-2-[[2-(3-phenylphenoxy)acetyl]amino]benzoic acid (CID 66680457) is 5-chloro-2-[[2-(3-phenylphenoxy)acetyl]amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[[2-(3-phenylphenoxy)acetyl]amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[[2-(3-phenylphenoxy)acetyl]amino]benzoic acid is O=C(COc1cccc(-c2ccccc2)c1)Nc1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-[[2-(3-phenylphenoxy)acetyl]amino]benzoic acid?
The InChIKey is OPBRCNMQCMRJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO4/c22-16-9-10-19(18(12-16)21(25)26)23-20(24)13-27-17-8-4-7-15(11-17)14-5-2-1-3-6-14/h1-12H,13H2,(H,23,24)(H,25,26).
What are the key properties of 5-chloro-2-[[2-(3-phenylphenoxy)acetyl]amino]benzoic acid?
5-chloro-2-[[2-(3-phenylphenoxy)acetyl]amino]benzoic acid has a molecular weight of 381.82 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-(3-phenylphenoxy)acetyl]amino]benzoic acid is sourced from PubChem (CID 66680457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).