3-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methyl-3-phenylpropanamide

C21H22ClN3O — CID 45183065

IUPAC3-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methyl-3-phenylpropanamide
SMILESCN(CCn1ccnc1)C(=O)CC(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C21H22ClN3O/c1-24(13-14-25-12-11-23-16-25)21(26)15-19(17-7-3-2-4-8-17)18-9-5-6-10-20(18)22/h2-12,16,19H,13-15H2,1H3
InChIKeyPSHPYLGWVNEXFD-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.22
Rot. Bonds7

About 3-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methyl-3-phenylpropanamide

3-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methyl-3-phenylpropanamide (PubChem CID 45183065) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methyl-3-phenylpropanamide
PubChem CID45183065
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name3-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methyl-3-phenylpropanamide
SMILESCN(CCn1ccnc1)C(=O)CC(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C21H22ClN3O/c1-24(13-14-25-12-11-23-16-25)21(26)15-19(17-7-3-2-4-8-17)18-9-5-6-10-20(18)22/h2-12,16,19H,13-15H2,1H3
InChIKeyPSHPYLGWVNEXFD-UHFFFAOYSA-N
XLogP4.22
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methyl-3-phenylpropanamide
CID 72842125
3-(2-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
CID 45210495
2-amino-2-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methylacetamide
CID 166270569
methyl 2-[[3-(2-chlorophenyl)-3-phenylpropanoyl]-methylamino]acetate
CID 45204448
(3R)-3-(2-chlorophenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpropanamide
CID 26315813
1-(2-chlorophenyl)-2-imidazol-1-ylethanol
CID 12760607
2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
CID 43243129
2-[2-[2-imidazol-1-ylethyl(methyl)amino]ethyl]benzoic acid
CID 104548858
3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-(2-imidazol-1-ylethyl)-1-methylurea
CID 125439891
(E)-but-2-enedioic acid;1-[2-(2-chlorophenyl)octyl]imidazole
CID 5477098
ethyl 2-[benzyl(2-imidazol-1-ylethyl)amino]acetate
CID 115536670
(3S)-3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propanamide
CID 42309815

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methyl-3-phenylpropanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methyl-3-phenylpropanamide (CID 45183065) is 3-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methyl-3-phenylpropanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methyl-3-phenylpropanamide is CN(CCn1ccnc1)C(=O)CC(c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methyl-3-phenylpropanamide?
The InChIKey is PSHPYLGWVNEXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c1-24(13-14-25-12-11-23-16-25)21(26)15-19(17-7-3-2-4-8-17)18-9-5-6-10-20(18)22/h2-12,16,19H,13-15H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methyl-3-phenylpropanamide?
3-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methyl-3-phenylpropanamide has a molecular weight of 367.88 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 45183065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).