4-[[[2-(naphthalene-2-carbonylamino)benzoyl]amino]methyl]benzoic acid

C26H20N2O4 — CID 90656007

IUPAC4-[[[2-(naphthalene-2-carbonylamino)benzoyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C26H20N2O4/c29-24(21-14-13-18-5-1-2-6-20(18)15-21)28-23-8-4-3-7-22(23)25(30)27-16-17-9-11-19(12-10-17)26(31)32/h1-15H,16H2,(H,27,30)(H,28,29)(H,31,32)
InChIKeyDVSVBYUORBALIL-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.72
Rot. Bonds6

About 4-[[[2-(naphthalene-2-carbonylamino)benzoyl]amino]methyl]benzoic acid

4-[[[2-(naphthalene-2-carbonylamino)benzoyl]amino]methyl]benzoic acid (PubChem CID 90656007) has the molecular formula C26H20N2O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is 4-[[[2-(naphthalene-2-carbonylamino)benzoyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[2-(naphthalene-2-carbonylamino)benzoyl]amino]methyl]benzoic acid
PubChem CID90656007
Molecular FormulaC26H20N2O4
Molecular Weight424.46 g/mol
Exact Mass424.14
IUPAC Name4-[[[2-(naphthalene-2-carbonylamino)benzoyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C26H20N2O4/c29-24(21-14-13-18-5-1-2-6-20(18)15-21)28-23-8-4-3-7-22(23)25(30)27-16-17-9-11-19(12-10-17)26(31)32/h1-15H,16H2,(H,27,30)(H,28,29)(H,31,32)
InChIKeyDVSVBYUORBALIL-UHFFFAOYSA-N
XLogP4.72
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[[2-(naphthalene-2-carbonylamino)benzoyl]amino]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(benzylcarbamoyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100703574
N-[2-(propylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 8750851
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 9245587
N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615
N-benzyl-2-[(4-bromobenzoyl)amino]benzamide
CID 17256451
N-[(4-methoxyphenyl)methyl]-2-[(3-methylbenzoyl)amino]benzamide
CID 26549729
N-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4952787
2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 17418127
N-benzyl-2-[(3-ethoxybenzoyl)amino]benzamide
CID 4957453
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
7-N-benzyl-3-hydroxy-2-N-naphthalen-1-ylnaphthalene-2,7-dicarboxamide
CID 22081973
2-benzamido-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 55576558

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(naphthalene-2-carbonylamino)benzoyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[2-(naphthalene-2-carbonylamino)benzoyl]amino]methyl]benzoic acid (CID 90656007) is 4-[[[2-(naphthalene-2-carbonylamino)benzoyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[2-(naphthalene-2-carbonylamino)benzoyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[2-(naphthalene-2-carbonylamino)benzoyl]amino]methyl]benzoic acid is O=C(O)c1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-[[[2-(naphthalene-2-carbonylamino)benzoyl]amino]methyl]benzoic acid?
The InChIKey is DVSVBYUORBALIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4/c29-24(21-14-13-18-5-1-2-6-20(18)15-21)28-23-8-4-3-7-22(23)25(30)27-16-17-9-11-19(12-10-17)26(31)32/h1-15H,16H2,(H,27,30)(H,28,29)(H,31,32).
What are the key properties of 4-[[[2-(naphthalene-2-carbonylamino)benzoyl]amino]methyl]benzoic acid?
4-[[[2-(naphthalene-2-carbonylamino)benzoyl]amino]methyl]benzoic acid has a molecular weight of 424.46 g/mol, XLogP of 4.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(naphthalene-2-carbonylamino)benzoyl]amino]methyl]benzoic acid is sourced from PubChem (CID 90656007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).