2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid

C22H18N2O4 — CID 54761803

IUPAC2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
SMILESO=C(Cc1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C22H18N2O4/c25-20(14-15-8-2-1-3-9-15)23-18-12-6-4-10-16(18)21(26)24-19-13-7-5-11-17(19)22(27)28/h1-13H,14H2,(H,23,25)(H,24,26)(H,27,28)
InChIKeyNMKNKSDCPFAGPJ-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.82
Rot. Bonds6

About 2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid

2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid (PubChem CID 54761803) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
PubChem CID54761803
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
SMILESO=C(Cc1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C22H18N2O4/c25-20(14-15-8-2-1-3-9-15)23-18-12-6-4-10-16(18)21(26)24-19-13-7-5-11-17(19)22(27)28/h1-13H,14H2,(H,23,25)(H,24,26)(H,27,28)
InChIKeyNMKNKSDCPFAGPJ-UHFFFAOYSA-N
XLogP3.82
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-chloro-3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
CID 17361903
3-phenyl-2-[[2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoyl]amino]propanoic acid
CID 11827463
2-[[2-(4-acetamidophenyl)acetyl]amino]benzoic acid
CID 108804791
2-[[2-(methylamino)benzoyl]amino]benzoic acid
CID 12819847
2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide
CID 3915249
2-[[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]benzoic acid
CID 1428068
2-[[2-(ethylamino)benzoyl]amino]benzoic acid
CID 14221255
2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
2-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid
CID 17296977
2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid
CID 15574688
2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]benzamide
CID 17119515
4-chloro-2-[(2-phenylacetyl)amino]benzoic acid
CID 3880553

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid?
The IUPAC name of 2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid (CID 54761803) is 2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid is O=C(Cc1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid?
The InChIKey is NMKNKSDCPFAGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c25-20(14-15-8-2-1-3-9-15)23-18-12-6-4-10-16(18)21(26)24-19-13-7-5-11-17(19)22(27)28/h1-13H,14H2,(H,23,25)(H,24,26)(H,27,28).
What are the key properties of 2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid?
2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid has a molecular weight of 374.40 g/mol, XLogP of 3.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid is sourced from PubChem (CID 54761803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).