2-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzoic acid

C24H17NO4 — CID 1216754

IUPAC2-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1ccc(Oc2cccc3ccccc23)cc1
InChIInChI=1S/C24H17NO4/c26-23(20-9-3-4-10-21(20)24(27)28)25-17-12-14-18(15-13-17)29-22-11-5-7-16-6-1-2-8-19(16)22/h1-15H,(H,25,26)(H,27,28)
InChIKeyYZEJIVHEKNOOOB-UHFFFAOYSA-N
MW383.40 g/mol
LogP5.58
Rot. Bonds5

About 2-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzoic acid

2-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzoic acid (PubChem CID 1216754) has the molecular formula C24H17NO4 and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzoic acid
PubChem CID1216754
Molecular FormulaC24H17NO4
Molecular Weight383.40 g/mol
Exact Mass383.12
IUPAC Name2-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1ccc(Oc2cccc3ccccc23)cc1
InChIInChI=1S/C24H17NO4/c26-23(20-9-3-4-10-21(20)24(27)28)25-17-12-14-18(15-13-17)29-22-11-5-7-16-6-1-2-8-19(16)22/h1-15H,(H,25,26)(H,27,28)
InChIKeyYZEJIVHEKNOOOB-UHFFFAOYSA-N
XLogP5.58
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.40
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_B(4)', 'substructure': 'N/A'}

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Related Compounds

4-naphthalen-1-yloxyphthalic acid
CID 174697498
2-naphthalen-1-ylperoxy-N-phenylbenzamide
CID 57106650
4-cyano-N-(4-naphthalen-1-yloxyphenyl)benzamide
CID 58834878
2-phenoxy-N-phenylbenzamide
CID 3402306
2,6-dichloro-N-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzamide
CID 23455386
2-(naphthalen-1-ylcarbamoyl)benzoic acid
CID 67617466
2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 912370
N-(4-phenylmethoxyphenyl)naphthalene-1-carboxamide
CID 1336313
2-phenoxy-N-(4-phenylphenyl)benzamide
CID 7926007
2-bromo-4-naphthalen-1-yloxybenzoic acid
CID 107282441
2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
N-[4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]phenyl]acetamide
CID 58834881

Frequently Asked Questions

What is the IUPAC name of 2-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzoic acid (CID 1216754) is 2-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)Nc1ccc(Oc2cccc3ccccc23)cc1.
What is the InChIKey of 2-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzoic acid?
The InChIKey is YZEJIVHEKNOOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO4/c26-23(20-9-3-4-10-21(20)24(27)28)25-17-12-14-18(15-13-17)29-22-11-5-7-16-6-1-2-8-19(16)22/h1-15H,(H,25,26)(H,27,28).
What are the key properties of 2-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzoic acid?
2-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzoic acid has a molecular weight of 383.40 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 1216754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).