N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide

C11H14ClN3O2 — CID 47103341

IUPACN-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)Nc1ccccc1Cl
InChIInChI=1S/C11H14ClN3O2/c1-8(16)13-6-7-14-11(17)15-10-5-3-2-4-9(10)12/h2-5H,6-7H2,1H3,(H,13,16)(H2,14,15,17)
InChIKeyKGJMFAWBYWQYHY-UHFFFAOYSA-N
MW255.71 g/mol
LogP1.60
Rot. Bonds4

About N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide

N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide (PubChem CID 47103341) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.71 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide
PubChem CID47103341
Molecular FormulaC11H14ClN3O2
Molecular Weight255.71 g/mol
Exact Mass255.08
IUPAC NameN-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)Nc1ccccc1Cl
InChIInChI=1S/C11H14ClN3O2/c1-8(16)13-6-7-14-11(17)15-10-5-3-2-4-9(10)12/h2-5H,6-7H2,1H3,(H,13,16)(H2,14,15,17)
InChIKeyKGJMFAWBYWQYHY-UHFFFAOYSA-N
XLogP1.60
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide 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-[(2-chloro-5-phenylphenyl)carbamoylamino]ethyl]acetamide
CID 122144264
N-[3-[(2-bromo-3-chlorophenyl)carbamoylamino]propyl]acetamide
CID 99834298
N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide
CID 47448428
4-[(2-chlorophenyl)carbamoylamino]butanoic acid
CID 28511695
3,4-dichloro-N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]benzamide
CID 78871648
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
(2S)-4-[(2-chlorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 114006714
2-acetamidoethyl-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium
CID 8843577
1-(3-butoxypropyl)-3-(2-chlorophenyl)urea
CID 78793865
2-(2-acetamidoethylamino)-4-(2-chloroanilino)-4-oxobutanoic acid
CID 4752855
N-[2-[(2,3-dichlorophenyl)carbamoylamino]ethyl]benzamide
CID 47032142
1-(2-chlorophenyl)-3-prop-2-enylurea
CID 4277664

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide (CID 47103341) is N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide is CC(=O)NCCNC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide?
The InChIKey is KGJMFAWBYWQYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-8(16)13-6-7-14-11(17)15-10-5-3-2-4-9(10)12/h2-5H,6-7H2,1H3,(H,13,16)(H2,14,15,17).
What are the key properties of N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide?
N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide has a molecular weight of 255.71 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide is sourced from PubChem (CID 47103341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).