N-[benzyl(ethyl)carbamoyl]-2-chloropropanamide

C13H17ClN2O2 — CID 43328921

IUPACN-[benzyl(ethyl)carbamoyl]-2-chloropropanamide
SMILESCCN(Cc1ccccc1)C(=O)NC(=O)C(C)Cl
InChIInChI=1S/C13H17ClN2O2/c1-3-16(9-11-7-5-4-6-8-11)13(18)15-12(17)10(2)14/h4-8,10H,3,9H2,1-2H3,(H,15,17,18)
InChIKeyGGHZIDCEZVRIEJ-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.37
Rot. Bonds4

About N-[benzyl(ethyl)carbamoyl]-2-chloropropanamide

N-[benzyl(ethyl)carbamoyl]-2-chloropropanamide (PubChem CID 43328921) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-[benzyl(ethyl)carbamoyl]-2-chloropropanamide.

Molecular Properties

Compound NameN-[benzyl(ethyl)carbamoyl]-2-chloropropanamide
PubChem CID43328921
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-[benzyl(ethyl)carbamoyl]-2-chloropropanamide
SMILESCCN(Cc1ccccc1)C(=O)NC(=O)C(C)Cl
InChIInChI=1S/C13H17ClN2O2/c1-3-16(9-11-7-5-4-6-8-11)13(18)15-12(17)10(2)14/h4-8,10H,3,9H2,1-2H3,(H,15,17,18)
InChIKeyGGHZIDCEZVRIEJ-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[benzyl(ethyl)carbamoyl]-2-chloropropanamide 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

(2R)-2-[[benzyl(ethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 79010087
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
1-benzyl-1-ethyl-3-(2-propan-2-ylphenyl)urea
CID 108989019
5-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid
CID 82846735
N-benzyl-2-bromo-N-ethylpropanamide
CID 82108939
1-benzyl-1-ethyl-3-(furan-2-yl)urea
CID 108868477
1,1-dibenzyl-3-propan-2-ylurea
CID 23988482
1-benzyl-1-ethyl-3-[(E)-2-phenylethenyl]urea
CID 108903240
N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide
CID 108940808
1-benzyl-1-ethyl-3-[(2-fluorophenyl)methyl]urea
CID 38945345

Frequently Asked Questions

What is the IUPAC name of N-[benzyl(ethyl)carbamoyl]-2-chloropropanamide?
The IUPAC name of N-[benzyl(ethyl)carbamoyl]-2-chloropropanamide (CID 43328921) is N-[benzyl(ethyl)carbamoyl]-2-chloropropanamide.
What is the SMILES notation for N-[benzyl(ethyl)carbamoyl]-2-chloropropanamide?
The canonical SMILES for N-[benzyl(ethyl)carbamoyl]-2-chloropropanamide is CCN(Cc1ccccc1)C(=O)NC(=O)C(C)Cl.
What is the InChIKey of N-[benzyl(ethyl)carbamoyl]-2-chloropropanamide?
The InChIKey is GGHZIDCEZVRIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-3-16(9-11-7-5-4-6-8-11)13(18)15-12(17)10(2)14/h4-8,10H,3,9H2,1-2H3,(H,15,17,18).
What are the key properties of N-[benzyl(ethyl)carbamoyl]-2-chloropropanamide?
N-[benzyl(ethyl)carbamoyl]-2-chloropropanamide has a molecular weight of 268.74 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzyl(ethyl)carbamoyl]-2-chloropropanamide is sourced from PubChem (CID 43328921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).