4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C21H14F3N3O4 — CID 1118911

IUPAC4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H14F3N3O4/c22-21(23,24)15-2-1-3-17(12-15)26-20(29)13-4-8-16(9-5-13)25-19(28)14-6-10-18(11-7-14)27(30)31/h1-12H,(H,25,28)(H,26,29)
InChIKeyDHHMCEKWYGEFCD-UHFFFAOYSA-N
MW429.35 g/mol
LogP5.12
Rot. Bonds5

About 4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 1118911) has the molecular formula C21H14F3N3O4 and a molecular weight of 429.35 g/mol. Its IUPAC name is 4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID1118911
Molecular FormulaC21H14F3N3O4
Molecular Weight429.35 g/mol
Exact Mass429.09
IUPAC Name4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H14F3N3O4/c22-21(23,24)15-2-1-3-17(12-15)26-20(29)13-4-8-16(9-5-13)25-19(28)14-6-10-18(11-7-14)27(30)31/h1-12H,(H,25,28)(H,26,29)
InChIKeyDHHMCEKWYGEFCD-UHFFFAOYSA-N
XLogP5.12
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.35
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide 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-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126231349
3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 767050
4-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 26593345
3-[(4-nitrobenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26168227
3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 709324
3,5-dinitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 9097997
N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide
CID 26158826
2-chloro-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 774440
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
4-nitro-2-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 3942380
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
4-(phenylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639160

Frequently Asked Questions

What is the IUPAC name of 4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 1118911) is 4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is DHHMCEKWYGEFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O4/c22-21(23,24)15-2-1-3-17(12-15)26-20(29)13-4-8-16(9-5-13)25-19(28)14-6-10-18(11-7-14)27(30)31/h1-12H,(H,25,28)(H,26,29).
What are the key properties of 4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 429.35 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 1118911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).