4-(ethylamino)-N-(4-nitrophenyl)benzamide

C15H15N3O3 — CID 62165605

IUPAC4-(ethylamino)-N-(4-nitrophenyl)benzamide
SMILESCCNc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H15N3O3/c1-2-16-12-5-3-11(4-6-12)15(19)17-13-7-9-14(10-8-13)18(20)21/h3-10,16H,2H2,1H3,(H,17,19)
InChIKeyXDOGEMBUPVPIQT-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.28
Rot. Bonds5

About 4-(ethylamino)-N-(4-nitrophenyl)benzamide

4-(ethylamino)-N-(4-nitrophenyl)benzamide (PubChem CID 62165605) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-(ethylamino)-N-(4-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(4-nitrophenyl)benzamide
PubChem CID62165605
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-(ethylamino)-N-(4-nitrophenyl)benzamide
SMILESCCNc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H15N3O3/c1-2-16-12-5-3-11(4-6-12)15(19)17-13-7-9-14(10-8-13)18(20)21/h3-10,16H,2H2,1H3,(H,17,19)
InChIKeyXDOGEMBUPVPIQT-UHFFFAOYSA-N
XLogP3.28
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.28
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-(ethylamino)-N-(4-nitrophenyl)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

4-(2,2-dimethylpropanoylamino)-N-(4-nitrophenyl)benzamide
CID 2866891
ethyl 4-[(4-nitrobenzoyl)amino]benzoate
CID 744546
4-[(4-nitrobenzoyl)amino]-N,N-dipropylbenzamide
CID 17196099
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
4-(aminomethyl)-N-(4-nitrophenyl)benzamide
CID 43426870
N,N-dimethyl-4-[(4-nitrobenzoyl)amino]benzamide
CID 4824063
N-ethyl-4-[2-(4-nitrophenyl)hydrazinyl]aniline
CID 142912922
4-nitro-N-[4-[1-[4-[(4-nitrobenzoyl)amino]phenyl]-1-phenylethyl]phenyl]benzamide
CID 5091426
N-[4-(ethylamino)phenyl]benzamide
CID 71038629
N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-nitrobenzamide
CID 5109198
potassium 4-[(4-nitrobenzoyl)amino]benzenesulfonic acid
CID 54607027
4-fluoro-N-[4-(4-nitrophenyl)phenyl]benzamide
CID 579434

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(4-nitrophenyl)benzamide?
The IUPAC name of 4-(ethylamino)-N-(4-nitrophenyl)benzamide (CID 62165605) is 4-(ethylamino)-N-(4-nitrophenyl)benzamide.
What is the SMILES notation for 4-(ethylamino)-N-(4-nitrophenyl)benzamide?
The canonical SMILES for 4-(ethylamino)-N-(4-nitrophenyl)benzamide is CCNc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-(ethylamino)-N-(4-nitrophenyl)benzamide?
The InChIKey is XDOGEMBUPVPIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-2-16-12-5-3-11(4-6-12)15(19)17-13-7-9-14(10-8-13)18(20)21/h3-10,16H,2H2,1H3,(H,17,19).
What are the key properties of 4-(ethylamino)-N-(4-nitrophenyl)benzamide?
4-(ethylamino)-N-(4-nitrophenyl)benzamide has a molecular weight of 285.30 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(4-nitrophenyl)benzamide is sourced from PubChem (CID 62165605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).