(2S)-N-[(3-chlorophenyl)methyl]-N-cyclopropyl-2-(2-methylimidazol-1-yl)propanamide

C17H20ClN3O — CID 95227129

IUPAC(2S)-N-[(3-chlorophenyl)methyl]-N-cyclopropyl-2-(2-methylimidazol-1-yl)propanamide
SMILESCc1nccn1[C@@H](C)C(=O)N(Cc1cccc(Cl)c1)C1CC1
InChIInChI=1S/C17H20ClN3O/c1-12(20-9-8-19-13(20)2)17(22)21(16-6-7-16)11-14-4-3-5-15(18)10-14/h3-5,8-10,12,16H,6-7,11H2,1-2H3/t12-/m0/s1
InChIKeyGMTZVFMNIIOCNE-LBPRGKRZSA-N
MW317.82 g/mol
LogP3.60
Rot. Bonds5

About (2S)-N-[(3-chlorophenyl)methyl]-N-cyclopropyl-2-(2-methylimidazol-1-yl)propanamide

(2S)-N-[(3-chlorophenyl)methyl]-N-cyclopropyl-2-(2-methylimidazol-1-yl)propanamide (PubChem CID 95227129) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is (2S)-N-[(3-chlorophenyl)methyl]-N-cyclopropyl-2-(2-methylimidazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(3-chlorophenyl)methyl]-N-cyclopropyl-2-(2-methylimidazol-1-yl)propanamide
PubChem CID95227129
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name(2S)-N-[(3-chlorophenyl)methyl]-N-cyclopropyl-2-(2-methylimidazol-1-yl)propanamide
SMILESCc1nccn1[C@@H](C)C(=O)N(Cc1cccc(Cl)c1)C1CC1
InChIInChI=1S/C17H20ClN3O/c1-12(20-9-8-19-13(20)2)17(22)21(16-6-7-16)11-14-4-3-5-15(18)10-14/h3-5,8-10,12,16H,6-7,11H2,1-2H3/t12-/m0/s1
InChIKeyGMTZVFMNIIOCNE-LBPRGKRZSA-N
XLogP3.60
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine
CID 130877387
N-[(3-chlorophenyl)methyl]-2-imidazol-1-yl-N-methylpropanamide
CID 42961250
N-[(3-chlorophenyl)methyl]-N-cyclopropyl-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154571647
N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 47059362
N-[(3-chlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide
CID 35141310
N-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide
CID 83146723
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylacetamide
CID 42819003
1-[1-(4-aminobutan-2-yl)piperidin-4-yl]-1-[(3-chlorophenyl)methyl]-3-methoxyurea
CID 90995771
2,2-dichloro-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylacetamide
CID 3965068
2-[(3-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-cyclopentylpropanamide
CID 133263009
2-[(3-chlorophenyl)methyl-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]-N-cyclopentylpropanamide
CID 133197959
3-[cyclopropyl-[(3-pyridin-3-ylphenyl)methyl]amino]-2-methyl-3-oxopropanoic acid
CID 122066362

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-chlorophenyl)methyl]-N-cyclopropyl-2-(2-methylimidazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[(3-chlorophenyl)methyl]-N-cyclopropyl-2-(2-methylimidazol-1-yl)propanamide (CID 95227129) is (2S)-N-[(3-chlorophenyl)methyl]-N-cyclopropyl-2-(2-methylimidazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[(3-chlorophenyl)methyl]-N-cyclopropyl-2-(2-methylimidazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[(3-chlorophenyl)methyl]-N-cyclopropyl-2-(2-methylimidazol-1-yl)propanamide is Cc1nccn1[C@@H](C)C(=O)N(Cc1cccc(Cl)c1)C1CC1.
What is the InChIKey of (2S)-N-[(3-chlorophenyl)methyl]-N-cyclopropyl-2-(2-methylimidazol-1-yl)propanamide?
The InChIKey is GMTZVFMNIIOCNE-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-12(20-9-8-19-13(20)2)17(22)21(16-6-7-16)11-14-4-3-5-15(18)10-14/h3-5,8-10,12,16H,6-7,11H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-N-[(3-chlorophenyl)methyl]-N-cyclopropyl-2-(2-methylimidazol-1-yl)propanamide?
(2S)-N-[(3-chlorophenyl)methyl]-N-cyclopropyl-2-(2-methylimidazol-1-yl)propanamide has a molecular weight of 317.82 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-chlorophenyl)methyl]-N-cyclopropyl-2-(2-methylimidazol-1-yl)propanamide is sourced from PubChem (CID 95227129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).