N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-2-nitrobenzamide

C21H18N4O4 — CID 15895800

IUPACN-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-2-nitrobenzamide
SMILESNc1ccccc1NC(=O)c1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C21H18N4O4/c22-17-6-2-3-7-18(17)24-20(26)15-11-9-14(10-12-15)13-23-21(27)16-5-1-4-8-19(16)25(28)29/h1-12H,13,22H2,(H,23,27)(H,24,26)
InChIKeyUZMAPWISJAZALQ-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.36
Rot. Bonds6

About N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-2-nitrobenzamide

N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-2-nitrobenzamide (PubChem CID 15895800) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-2-nitrobenzamide
PubChem CID15895800
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC NameN-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-2-nitrobenzamide
SMILESNc1ccccc1NC(=O)c1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C21H18N4O4/c22-17-6-2-3-7-18(17)24-20(26)15-11-9-14(10-12-15)13-23-21(27)16-5-1-4-8-19(16)25(28)29/h1-12H,13,22H2,(H,23,27)(H,24,26)
InChIKeyUZMAPWISJAZALQ-UHFFFAOYSA-N
XLogP3.36
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-2-nitrobenzamide 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-[(4-bromophenyl)methyl]-2-nitrobenzamide
CID 60582772
2-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052911
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
N-benzyl-2-[(2-nitrobenzoyl)carbamothioylamino]benzamide
CID 4930570
N-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide
CID 141261205
2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide
CID 15997975
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide
CID 90131501
N-(2-amino-3-pyridinyl)-4-[[(4-nitrophenyl)methylcarbamoylamino]methyl]benzamide
CID 44594967
N-[[4-[(2-amino-5-fluorophenyl)carbamoyl]phenyl]methyl]naphthalene-1-carboxamide
CID 71478084
N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615
N-[[2-(aminomethyl)phenyl]methyl]-2-nitrobenzamide
CID 62951005
N-[(2-fluorophenyl)methyl]-2-nitrobenzamide
CID 7924688

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-2-nitrobenzamide?
The IUPAC name of N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-2-nitrobenzamide (CID 15895800) is N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-2-nitrobenzamide.
What is the SMILES notation for N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-2-nitrobenzamide?
The canonical SMILES for N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-2-nitrobenzamide is Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-2-nitrobenzamide?
The InChIKey is UZMAPWISJAZALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4/c22-17-6-2-3-7-18(17)24-20(26)15-11-9-14(10-12-15)13-23-21(27)16-5-1-4-8-19(16)25(28)29/h1-12H,13,22H2,(H,23,27)(H,24,26).
What are the key properties of N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-2-nitrobenzamide?
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-2-nitrobenzamide has a molecular weight of 390.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-2-nitrobenzamide is sourced from PubChem (CID 15895800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).