2-methyl-3-[(4-phenylbenzoyl)amino]benzoic acid

C21H17NO3 — CID 2953735

IUPAC2-methyl-3-[(4-phenylbenzoyl)amino]benzoic acid
SMILESCc1c(NC(=O)c2ccc(-c3ccccc3)cc2)cccc1C(=O)O
InChIInChI=1S/C21H17NO3/c1-14-18(21(24)25)8-5-9-19(14)22-20(23)17-12-10-16(11-13-17)15-6-3-2-4-7-15/h2-13H,1H3,(H,22,23)(H,24,25)
InChIKeyNKVXBOSFFSYROB-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.61
Rot. Bonds4

About 2-methyl-3-[(4-phenylbenzoyl)amino]benzoic acid

2-methyl-3-[(4-phenylbenzoyl)amino]benzoic acid (PubChem CID 2953735) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-methyl-3-[(4-phenylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-3-[(4-phenylbenzoyl)amino]benzoic acid
PubChem CID2953735
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name2-methyl-3-[(4-phenylbenzoyl)amino]benzoic acid
SMILESCc1c(NC(=O)c2ccc(-c3ccccc3)cc2)cccc1C(=O)O
InChIInChI=1S/C21H17NO3/c1-14-18(21(24)25)8-5-9-19(14)22-20(23)17-12-10-16(11-13-17)15-6-3-2-4-7-15/h2-13H,1H3,(H,22,23)(H,24,25)
InChIKeyNKVXBOSFFSYROB-UHFFFAOYSA-N
XLogP4.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-phenylbenzoyl)amino]benzoic acid?
The IUPAC name of 2-methyl-3-[(4-phenylbenzoyl)amino]benzoic acid (CID 2953735) is 2-methyl-3-[(4-phenylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-methyl-3-[(4-phenylbenzoyl)amino]benzoic acid?
The canonical SMILES for 2-methyl-3-[(4-phenylbenzoyl)amino]benzoic acid is Cc1c(NC(=O)c2ccc(-c3ccccc3)cc2)cccc1C(=O)O.
What is the InChIKey of 2-methyl-3-[(4-phenylbenzoyl)amino]benzoic acid?
The InChIKey is NKVXBOSFFSYROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-14-18(21(24)25)8-5-9-19(14)22-20(23)17-12-10-16(11-13-17)15-6-3-2-4-7-15/h2-13H,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-methyl-3-[(4-phenylbenzoyl)amino]benzoic acid?
2-methyl-3-[(4-phenylbenzoyl)amino]benzoic acid has a molecular weight of 331.37 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-phenylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 2953735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).