4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]benzoic acid

C19H14ClNO4 — CID 1295523

IUPAC4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]benzoic acid
SMILESO=C(COc1cccc2ccccc12)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C19H14ClNO4/c20-13-8-9-15(19(23)24)16(10-13)21-18(22)11-25-17-7-3-5-12-4-1-2-6-14(12)17/h1-10H,11H2,(H,21,22)(H,23,24)
InChIKeyOKFVCWAYHJMQFA-UHFFFAOYSA-N
MW355.78 g/mol
LogP4.21
Rot. Bonds5

About 4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]benzoic acid

4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]benzoic acid (PubChem CID 1295523) has the molecular formula C19H14ClNO4 and a molecular weight of 355.78 g/mol. Its IUPAC name is 4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]benzoic acid
PubChem CID1295523
Molecular FormulaC19H14ClNO4
Molecular Weight355.78 g/mol
Exact Mass355.06
IUPAC Name4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]benzoic acid
SMILESO=C(COc1cccc2ccccc12)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C19H14ClNO4/c20-13-8-9-15(19(23)24)16(10-13)21-18(22)11-25-17-7-3-5-12-4-1-2-6-14(12)17/h1-10H,11H2,(H,21,22)(H,23,24)
InChIKeyOKFVCWAYHJMQFA-UHFFFAOYSA-N
XLogP4.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-{[(4-Chlorophenoxy)acetyl]amino}benzoic acid
CID 708990
compound 5 (PMID: 29579323)
CID 2264067
2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic Acid
CID 950383
2-{[(4-Chloro-2-methylphenoxy)acetyl]amino}benzoic acid
CID 839534
(3-Phenoxybenzoylamino)benzoic acid deriv., 24o
CID 11465276
2-[(Benzenecarbonyl)amino]-3-[(4-Chlorophenyl)methoxy]benzoic Acid
CID 69586321
4-Chloro-2-{[(4-methoxyphenyl)acetyl]amino}benzoic acid
CID 839406
5-Bromo-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid
CID 1342578
2-[[2-(4-Naphthalen-2-yloxyphenyl)acetyl]amino]benzoic acid
CID 9952651
3-[2-(5-Chloro-2-phenylmethoxyphenyl)phenyl]-5-[(2-methoxyacetyl)amino]benzoic acid
CID 9983512
2-[[2-[4-(6-Phenylmethoxynaphthalen-2-yl)oxyphenyl]acetyl]amino]benzoic acid
CID 10458758
2-[[(2S)-2-(4-chlorophenoxy)propanoyl]amino]benzoic acid
CID 11186257

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]benzoic acid?
The IUPAC name of 4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]benzoic acid (CID 1295523) is 4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]benzoic acid is O=C(COc1cccc2ccccc12)Nc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]benzoic acid?
The InChIKey is OKFVCWAYHJMQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO4/c20-13-8-9-15(19(23)24)16(10-13)21-18(22)11-25-17-7-3-5-12-4-1-2-6-14(12)17/h1-10H,11H2,(H,21,22)(H,23,24).
What are the key properties of 4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]benzoic acid?
4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]benzoic acid has a molecular weight of 355.78 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]benzoic acid is sourced from PubChem (CID 1295523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).