4-[[(2-benzylbenzoyl)amino]methyl]benzoic acid

C22H19NO3 — CID 45426449

IUPAC4-[[(2-benzylbenzoyl)amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C22H19NO3/c24-21(23-15-17-10-12-18(13-11-17)22(25)26)20-9-5-4-8-19(20)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,23,24)(H,25,26)
InChIKeyOTRLPBDXGUJAPN-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.91
Rot. Bonds6

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

4-[[(2-benzylbenzoyl)amino]methyl]benzoic acid (PubChem CID 45426449) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-[[(2-benzylbenzoyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(2-benzylbenzoyl)amino]methyl]benzoic acid
PubChem CID45426449
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name4-[[(2-benzylbenzoyl)amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C22H19NO3/c24-21(23-15-17-10-12-18(13-11-17)22(25)26)20-9-5-4-8-19(20)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,23,24)(H,25,26)
InChIKeyOTRLPBDXGUJAPN-UHFFFAOYSA-N
XLogP3.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[[(2,3-difluorobenzoyl)amino]methyl]benzoic acid
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methyl 2-[(2-benzylbenzoyl)amino]acetate
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2-[(4-benzylphenyl)methyl]benzoic acid
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4-[[[2-(oxan-4-yloxymethyl)benzoyl]amino]methyl]benzoic acid
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2-(2-amino-2-sulfanylideneethyl)-N-benzylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-benzylbenzoyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[(2-benzylbenzoyl)amino]methyl]benzoic acid (CID 45426449) is 4-[[(2-benzylbenzoyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(2-benzylbenzoyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[(2-benzylbenzoyl)amino]methyl]benzoic acid is O=C(O)c1ccc(CNC(=O)c2ccccc2Cc2ccccc2)cc1.
What is the InChIKey of 4-[[(2-benzylbenzoyl)amino]methyl]benzoic acid?
The InChIKey is OTRLPBDXGUJAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c24-21(23-15-17-10-12-18(13-11-17)22(25)26)20-9-5-4-8-19(20)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,23,24)(H,25,26).
What are the key properties of 4-[[(2-benzylbenzoyl)amino]methyl]benzoic acid?
4-[[(2-benzylbenzoyl)amino]methyl]benzoic acid has a molecular weight of 345.40 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-benzylbenzoyl)amino]methyl]benzoic acid is sourced from PubChem (CID 45426449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).