2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide

C14H16ClN3O — CID 110476101

IUPAC2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
SMILESCn1ccnc1CCNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O/c1-18-9-8-16-13(18)6-7-17-14(19)10-11-2-4-12(15)5-3-11/h2-5,8-9H,6-7,10H2,1H3,(H,17,19)
InChIKeyHXGOIZFVYMWHGM-UHFFFAOYSA-N
MW277.76 g/mol
LogP1.97
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide

2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide (PubChem CID 110476101) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
PubChem CID110476101
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
SMILESCn1ccnc1CCNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O/c1-18-9-8-16-13(18)6-7-17-14(19)10-11-2-4-12(15)5-3-11/h2-5,8-9H,6-7,10H2,1H3,(H,17,19)
InChIKeyHXGOIZFVYMWHGM-UHFFFAOYSA-N
XLogP1.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)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-(1-methylimidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51102467
2-(2-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476005
5-chloro-2-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 113228022
3-[2-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 62232290
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 61217931
2-[(4-chlorophenyl)methyl]-1-methylimidazole
CID 143713939
2,5-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 114918135
2-(4-chlorophenyl)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 9247935
3-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62248784
2,2-diethyl-4-[2-(1-methylimidazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 61215314
N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 51102465

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide (CID 110476101) is 2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide is Cn1ccnc1CCNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide?
The InChIKey is HXGOIZFVYMWHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-18-9-8-16-13(18)6-7-17-14(19)10-11-2-4-12(15)5-3-11/h2-5,8-9H,6-7,10H2,1H3,(H,17,19).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide has a molecular weight of 277.76 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 110476101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).