3-benzamido-4-[benzyl(methyl)amino]benzoic acid

C22H20N2O3 — CID 53053003

IUPAC3-benzamido-4-[benzyl(methyl)amino]benzoic acid
SMILESCN(Cc1ccccc1)c1ccc(C(=O)O)cc1NC(=O)c1ccccc1
InChIInChI=1S/C22H20N2O3/c1-24(15-16-8-4-2-5-9-16)20-13-12-18(22(26)27)14-19(20)23-21(25)17-10-6-3-7-11-17/h2-14H,15H2,1H3,(H,23,25)(H,26,27)
InChIKeyOJPPPTHSYRFWCE-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.27
Rot. Bonds6

About 3-benzamido-4-[benzyl(methyl)amino]benzoic acid

3-benzamido-4-[benzyl(methyl)amino]benzoic acid (PubChem CID 53053003) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 3-benzamido-4-[benzyl(methyl)amino]benzoic acid.

Molecular Properties

Compound Name3-benzamido-4-[benzyl(methyl)amino]benzoic acid
PubChem CID53053003
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name3-benzamido-4-[benzyl(methyl)amino]benzoic acid
SMILESCN(Cc1ccccc1)c1ccc(C(=O)O)cc1NC(=O)c1ccccc1
InChIInChI=1S/C22H20N2O3/c1-24(15-16-8-4-2-5-9-16)20-13-12-18(22(26)27)14-19(20)23-21(25)17-10-6-3-7-11-17/h2-14H,15H2,1H3,(H,23,25)(H,26,27)
InChIKeyOJPPPTHSYRFWCE-UHFFFAOYSA-N
XLogP4.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzyl(methyl)amino]-3-[(3-methylbenzoyl)amino]benzoic acid
CID 53052954
4-[benzyl(methyl)amino]-3-[(4-fluorobenzoyl)amino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146053571
4-[benzyl(methyl)amino]-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid
CID 50766845
4-[benzyl(methyl)amino]-3-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid
CID 50767116
4-[benzyl(methyl)amino]-3-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 50767070
3-[(2-chlorobenzoyl)amino]-4-(diethylamino)benzoic acid
CID 53052827
4-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 106760608
N-[2-(dimethylamino)-5-fluorophenyl]benzamide
CID 113092460
3-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 106760605
N-[4-[(N-methylanilino)methyl]phenyl]benzamide
CID 170063802
3-benzamido-N,4-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 46409799
3-benzamido-4-[methyl(methylcarbamoyl)amino]benzoyl chloride
CID 102238817

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4-[benzyl(methyl)amino]benzoic acid?
The IUPAC name of 3-benzamido-4-[benzyl(methyl)amino]benzoic acid (CID 53053003) is 3-benzamido-4-[benzyl(methyl)amino]benzoic acid.
What is the SMILES notation for 3-benzamido-4-[benzyl(methyl)amino]benzoic acid?
The canonical SMILES for 3-benzamido-4-[benzyl(methyl)amino]benzoic acid is CN(Cc1ccccc1)c1ccc(C(=O)O)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-4-[benzyl(methyl)amino]benzoic acid?
The InChIKey is OJPPPTHSYRFWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-24(15-16-8-4-2-5-9-16)20-13-12-18(22(26)27)14-19(20)23-21(25)17-10-6-3-7-11-17/h2-14H,15H2,1H3,(H,23,25)(H,26,27).
What are the key properties of 3-benzamido-4-[benzyl(methyl)amino]benzoic acid?
3-benzamido-4-[benzyl(methyl)amino]benzoic acid has a molecular weight of 360.41 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-4-[benzyl(methyl)amino]benzoic acid is sourced from PubChem (CID 53053003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).