N-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-2-yl)propanamide

C14H16ClN3O — CID 173099501

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-2-yl)propanamide
SMILESCC(C(=O)NCCc1ccc(Cl)cc1)c1ncc[nH]1
InChIInChI=1S/C14H16ClN3O/c1-10(13-16-8-9-17-13)14(19)18-7-6-11-2-4-12(15)5-3-11/h2-5,8-10H,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyIGWGGCZPYNPGKR-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.53
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-2-yl)propanamide

N-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-2-yl)propanamide (PubChem CID 173099501) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-2-yl)propanamide
PubChem CID173099501
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-2-yl)propanamide
SMILESCC(C(=O)NCCc1ccc(Cl)cc1)c1ncc[nH]1
InChIInChI=1S/C14H16ClN3O/c1-10(13-16-8-9-17-13)14(19)18-7-6-11-2-4-12(15)5-3-11/h2-5,8-10H,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyIGWGGCZPYNPGKR-UHFFFAOYSA-N
XLogP2.53
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119263480
2-[(1S)-1-[3-[2-(4-chlorophenyl)ethyl]-2-methylphenyl]ethyl]-1H-imidazole
CID 68875748
(2R)-N-[2-(4-chlorophenyl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 125469715
(2R)-2-bromo-N-[2-(4-chlorophenyl)ethyl]butanamide
CID 92864169
(2S)-N-[2-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34947799
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid
CID 64890887
propan-2-yl N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 22856211
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide
CID 83340796
N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-methylpropanamide
CID 110790499
4-[2-(4-chlorophenyl)ethylamino]-2-methyl-4-oxobutanoic acid
CID 115165161

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-2-yl)propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-2-yl)propanamide (CID 173099501) is N-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-2-yl)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-2-yl)propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-2-yl)propanamide is CC(C(=O)NCCc1ccc(Cl)cc1)c1ncc[nH]1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-2-yl)propanamide?
The InChIKey is IGWGGCZPYNPGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-10(13-16-8-9-17-13)14(19)18-7-6-11-2-4-12(15)5-3-11/h2-5,8-10H,6-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-2-yl)propanamide?
N-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-2-yl)propanamide has a molecular weight of 277.75 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-2-yl)propanamide is sourced from PubChem (CID 173099501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).