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

C23H22N4O3 — CID 141261205

IUPACN-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CNC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H22N4O3/c24-19-8-4-5-9-20(19)27-23(30)18-12-10-16(11-13-18)14-25-21(28)15-26-22(29)17-6-2-1-3-7-17/h1-13H,14-15,24H2,(H,25,28)(H,26,29)(H,27,30)
InChIKeyLOCYDGHLEDOXRC-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.57
Rot. Bonds7

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

N-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide (PubChem CID 141261205) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide
PubChem CID141261205
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CNC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H22N4O3/c24-19-8-4-5-9-20(19)27-23(30)18-12-10-16(11-13-18)14-25-21(28)15-26-22(29)17-6-2-1-3-7-17/h1-13H,14-15,24H2,(H,25,28)(H,26,29)(H,27,30)
InChIKeyLOCYDGHLEDOXRC-UHFFFAOYSA-N
XLogP2.57
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
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
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(2-aminophenyl)-4-[[6-[4-[(4-methylphenyl)methylamino]butylamino]hexanoylamino]methyl]benzamide
CID 24883370
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-2-nitrobenzamide
CID 15895800
N-[3-[[2-(benzylamino)-2-oxoethyl]amino]-2-methylphenyl]benzamide
CID 55918836
N-(2-aminophenyl)-4-[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]benzamide
CID 141267227
N'-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-[3-[4-(3,3-diphenylpropylamino)butylamino]propyl]octanediamide
CID 24854436
N-(2-aminophenyl)-4-[[benzylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]benzamide
CID 58001196
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide
CID 90131501
1-(2-aminophenyl)-3-benzylurea
CID 86135193

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide (CID 141261205) is N-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide is Nc1ccccc1NC(=O)c1ccc(CNC(=O)CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide?
The InChIKey is LOCYDGHLEDOXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c24-19-8-4-5-9-20(19)27-23(30)18-12-10-16(11-13-18)14-25-21(28)15-26-22(29)17-6-2-1-3-7-17/h1-13H,14-15,24H2,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of N-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide?
N-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide has a molecular weight of 402.45 g/mol, XLogP of 2.57, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide is sourced from PubChem (CID 141261205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).