N-[(3-chlorophenyl)methyl]-2-imidazol-1-yl-N-methylpropanamide

C14H16ClN3O — CID 42961250

IUPACN-[(3-chlorophenyl)methyl]-2-imidazol-1-yl-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1cccc(Cl)c1)n1ccnc1
InChIInChI=1S/C14H16ClN3O/c1-11(18-7-6-16-10-18)14(19)17(2)9-12-4-3-5-13(15)8-12/h3-8,10-11H,9H2,1-2H3
InChIKeyQXXJDACOVXAXOG-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.76
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-2-imidazol-1-yl-N-methylpropanamide

N-[(3-chlorophenyl)methyl]-2-imidazol-1-yl-N-methylpropanamide (PubChem CID 42961250) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-imidazol-1-yl-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-imidazol-1-yl-N-methylpropanamide
PubChem CID42961250
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC NameN-[(3-chlorophenyl)methyl]-2-imidazol-1-yl-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1cccc(Cl)c1)n1ccnc1
InChIInChI=1S/C14H16ClN3O/c1-11(18-7-6-16-10-18)14(19)17(2)9-12-4-3-5-13(15)8-12/h3-8,10-11H,9H2,1-2H3
InChIKeyQXXJDACOVXAXOG-UHFFFAOYSA-N
XLogP2.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylpropanamide
CID 61417366
(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 79012263
(2S)-2-imidazol-1-yl-N-methyl-N-[(2-phenylphenyl)methyl]propanamide
CID 95284747
2-imidazol-1-yl-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)propanamide
CID 56788413
4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559058
2-bromo-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 62855920
N-[(3-chlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 62853098
2-(azetidin-3-yl)-N-[(3-chlorophenyl)methyl]-N-methylpropanamide
CID 116676134
1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea
CID 115618548
5-amino-N-[(3-chlorophenyl)methyl]-N-methylhexanamide
CID 82851613
(2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-imidazol-1-yl-N-methylpropanamide
CID 126453961
3-(3-chlorophenyl)-1-imidazol-1-ylpropan-1-one
CID 82116505

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-imidazol-1-yl-N-methylpropanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-imidazol-1-yl-N-methylpropanamide (CID 42961250) is N-[(3-chlorophenyl)methyl]-2-imidazol-1-yl-N-methylpropanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-imidazol-1-yl-N-methylpropanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-imidazol-1-yl-N-methylpropanamide is CC(C(=O)N(C)Cc1cccc(Cl)c1)n1ccnc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-imidazol-1-yl-N-methylpropanamide?
The InChIKey is QXXJDACOVXAXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-11(18-7-6-16-10-18)14(19)17(2)9-12-4-3-5-13(15)8-12/h3-8,10-11H,9H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-imidazol-1-yl-N-methylpropanamide?
N-[(3-chlorophenyl)methyl]-2-imidazol-1-yl-N-methylpropanamide has a molecular weight of 277.75 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-imidazol-1-yl-N-methylpropanamide is sourced from PubChem (CID 42961250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).