N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide

C18H19ClN2O2 — CID 134039912

IUPACN-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O2/c1-2-13-3-5-14(6-4-13)17(22)20-11-12-21-18(23)15-7-9-16(19)10-8-15/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyGMTKCAHNYCQKAB-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.06
Rot. Bonds6

About N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide

N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide (PubChem CID 134039912) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
PubChem CID134039912
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O2/c1-2-13-3-5-14(6-4-13)17(22)20-11-12-21-18(23)15-7-9-16(19)10-8-15/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyGMTKCAHNYCQKAB-UHFFFAOYSA-N
XLogP3.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide 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-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119499870
N-[2-(N-acetyl-4-ethylanilino)ethyl]-4-chlorobenzamide
CID 113058431
ethane;4-ethyl-N-propylbenzamide
CID 142831348
[2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827110
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide
CID 111042970
2-[(4-chlorobenzoyl)amino]ethylcarbamic acid
CID 19741762
N-(4-chlorobutyl)-4-ethylbenzamide
CID 106845476
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide
CID 71822306
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide?
The IUPAC name of N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide (CID 134039912) is N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide.
What is the SMILES notation for N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide?
The canonical SMILES for N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide is CCc1ccc(C(=O)NCCNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide?
The InChIKey is GMTKCAHNYCQKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-2-13-3-5-14(6-4-13)17(22)20-11-12-21-18(23)15-7-9-16(19)10-8-15/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide?
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide has a molecular weight of 330.82 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide is sourced from PubChem (CID 134039912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).