3-(2-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide

C14H14ClN3O — CID 77022306

IUPAC3-(2-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)NCCc1cnc[nH]1
InChIInChI=1S/C14H14ClN3O/c15-13-4-2-1-3-11(13)5-6-14(19)17-8-7-12-9-16-10-18-12/h1-6,9-10H,7-8H2,(H,16,18)(H,17,19)
InChIKeyLCYJFXIPGGEEEC-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.44
Rot. Bonds5

About 3-(2-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide

3-(2-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide (PubChem CID 77022306) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
PubChem CID77022306
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name3-(2-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)NCCc1cnc[nH]1
InChIInChI=1S/C14H14ClN3O/c15-13-4-2-1-3-11(13)5-6-14(19)17-8-7-12-9-16-10-18-12/h1-6,9-10H,7-8H2,(H,16,18)(H,17,19)
InChIKeyLCYJFXIPGGEEEC-UHFFFAOYSA-N
XLogP2.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-chlorophenyl)-N-(2-pyrimidin-5-ylethyl)prop-2-enamide
CID 110208393
(E)-3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
CID 6443545
N-[2-(1H-imidazol-5-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 77021910
(E)-3-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
CID 115344385
N-[2-(1H-imidazol-5-yl)ethyl]but-2-enamide
CID 77051956
N-[2-(1H-imidazol-5-yl)ethyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 77022280
3-(2-bromophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide
CID 77075664
3-(2,4-dichlorophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide
CID 77075438
3-(2-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 3702491
(E)-3-(2-chlorophenyl)-N-[3-(4-fluorophenyl)propyl]prop-2-enamide
CID 50874871
3-(2-chlorophenyl)-N-(3-methylbutyl)prop-2-enamide
CID 2905028
3-(2-chlorophenyl)-N-undecylprop-2-enamide
CID 3474839

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide (CID 77022306) is 3-(2-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide is O=C(C=Cc1ccccc1Cl)NCCc1cnc[nH]1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide?
The InChIKey is LCYJFXIPGGEEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-13-4-2-1-3-11(13)5-6-14(19)17-8-7-12-9-16-10-18-12/h1-6,9-10H,7-8H2,(H,16,18)(H,17,19).
What are the key properties of 3-(2-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide?
3-(2-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide has a molecular weight of 275.74 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 77022306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).