N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide

C22H21N3O2 — CID 11348920

IUPACN-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C22H21N3O2/c23-19-8-4-5-9-20(19)25-22(27)18-12-10-17(11-13-18)15-24-21(26)14-16-6-2-1-3-7-16/h1-13H,14-15,23H2,(H,24,26)(H,25,27)
InChIKeyJRFBVLJXBBJSFR-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.38
Rot. Bonds6

About N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide

N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide (PubChem CID 11348920) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
PubChem CID11348920
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C22H21N3O2/c23-19-8-4-5-9-20(19)25-22(27)18-12-10-17(11-13-18)15-24-21(26)14-16-6-2-1-3-7-16/h1-13H,14-15,23H2,(H,24,26)(H,25,27)
InChIKeyJRFBVLJXBBJSFR-UHFFFAOYSA-N
XLogP3.38
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide
CID 141261205
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine
CID 174424077
N-(2-aminophenyl)-4-[[(2-cyclopent-2-en-1-ylacetyl)amino]methyl]benzamide
CID 10337895
1-(2-aminophenyl)-3-benzylurea
CID 86135193
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(2-aminophenyl)-4-[[benzylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]benzamide
CID 58001196
N-(2-aminophenyl)-4-[[6-[4-[(4-methylphenyl)methylamino]butylamino]hexanoylamino]methyl]benzamide
CID 24883370
N-(2-aminophenyl)-4-(3-phenylpropanoylamino)benzamide
CID 11394274
3-(aminomethyl)-N-(2-aminophenyl)-4-(benzylamino)benzamide
CID 134546834
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-2-nitrobenzamide
CID 15895800
N'-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-[3-[4-(3,3-diphenylpropylamino)butylamino]propyl]octanediamide
CID 24854436
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide
CID 90131501

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide (CID 11348920) is N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide is Nc1ccccc1NC(=O)c1ccc(CNC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide?
The InChIKey is JRFBVLJXBBJSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c23-19-8-4-5-9-20(19)25-22(27)18-12-10-17(11-13-18)15-24-21(26)14-16-6-2-1-3-7-16/h1-13H,14-15,23H2,(H,24,26)(H,25,27).
What are the key properties of N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide?
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide has a molecular weight of 359.43 g/mol, XLogP of 3.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide is sourced from PubChem (CID 11348920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).