2-(carbamoylamino)-N-[1-(3-chlorophenyl)ethyl]propanamide

C12H16ClN3O2 — CID 47097502

IUPAC2-(carbamoylamino)-N-[1-(3-chlorophenyl)ethyl]propanamide
SMILESCC(NC(N)=O)C(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClN3O2/c1-7(9-4-3-5-10(13)6-9)15-11(17)8(2)16-12(14)18/h3-8H,1-2H3,(H,15,17)(H3,14,16,18)
InChIKeyZJYLEANEXJEAND-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.57
Rot. Bonds4

About 2-(carbamoylamino)-N-[1-(3-chlorophenyl)ethyl]propanamide

2-(carbamoylamino)-N-[1-(3-chlorophenyl)ethyl]propanamide (PubChem CID 47097502) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[1-(3-chlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[1-(3-chlorophenyl)ethyl]propanamide
PubChem CID47097502
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name2-(carbamoylamino)-N-[1-(3-chlorophenyl)ethyl]propanamide
SMILESCC(NC(N)=O)C(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClN3O2/c1-7(9-4-3-5-10(13)6-9)15-11(17)8(2)16-12(14)18/h3-8H,1-2H3,(H,15,17)(H3,14,16,18)
InChIKeyZJYLEANEXJEAND-UHFFFAOYSA-N
XLogP1.57
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-(carbamoylamino)-N-[1-(3-chlorophenyl)ethyl]propanamide 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

2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
CID 81372048
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 113353557
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
(2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide
CID 93467019
2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983262
N-[1-(3-chlorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76926301
2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 61266625
4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methylbutanamide
CID 81086824
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]hexanamide
CID 81372543
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
N-butan-2-yl-2-[1-(3-chlorophenyl)ethylamino]propanamide
CID 60719366
N-[1-(3-chlorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926302

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[1-(3-chlorophenyl)ethyl]propanamide?
The IUPAC name of 2-(carbamoylamino)-N-[1-(3-chlorophenyl)ethyl]propanamide (CID 47097502) is 2-(carbamoylamino)-N-[1-(3-chlorophenyl)ethyl]propanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[1-(3-chlorophenyl)ethyl]propanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[1-(3-chlorophenyl)ethyl]propanamide is CC(NC(N)=O)C(=O)NC(C)c1cccc(Cl)c1.
What is the InChIKey of 2-(carbamoylamino)-N-[1-(3-chlorophenyl)ethyl]propanamide?
The InChIKey is ZJYLEANEXJEAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-7(9-4-3-5-10(13)6-9)15-11(17)8(2)16-12(14)18/h3-8H,1-2H3,(H,15,17)(H3,14,16,18).
What are the key properties of 2-(carbamoylamino)-N-[1-(3-chlorophenyl)ethyl]propanamide?
2-(carbamoylamino)-N-[1-(3-chlorophenyl)ethyl]propanamide has a molecular weight of 269.73 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[1-(3-chlorophenyl)ethyl]propanamide is sourced from PubChem (CID 47097502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).