(2R)-N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-cyclopropyl-3-methylbutanamide

C17H21ClN2O — CID 22082563

IUPAC(2R)-N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-cyclopropyl-3-methylbutanamide
SMILESCC(C)(C1CC1)[C@H](C#N)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O/c1-17(2,13-5-6-13)15(11-19)16(21)20-10-9-12-3-7-14(18)8-4-12/h3-4,7-8,13,15H,5-6,9-10H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyYFYKUFPOZRSWSE-OAHLLOKOSA-N
MW304.82 g/mol
LogP3.57
Rot. Bonds6

About (2R)-N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-cyclopropyl-3-methylbutanamide

(2R)-N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-cyclopropyl-3-methylbutanamide (PubChem CID 22082563) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is (2R)-N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-cyclopropyl-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-cyclopropyl-3-methylbutanamide
PubChem CID22082563
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name(2R)-N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-cyclopropyl-3-methylbutanamide
SMILESCC(C)(C1CC1)[C@H](C#N)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O/c1-17(2,13-5-6-13)15(11-19)16(21)20-10-9-12-3-7-14(18)8-4-12/h3-4,7-8,13,15H,5-6,9-10H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyYFYKUFPOZRSWSE-OAHLLOKOSA-N
XLogP3.57
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-cyano-2-phenylacetamide
CID 62878231
(2R)-N-[2-(4-chlorophenyl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 125469715
2-cyano-N-[2-(2,4-dichlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 68726093
N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-[(1R)-2,2-dichloro-1-methylcyclopropyl]butanamide
CID 22082561
N-[2-(4-chlorophenyl)ethyl]-N'-(cyanomethyl)oxamide
CID 61380619
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
1-[2-(4-chlorophenyl)ethyl]-3-(2-cyclohexylethyl)urea
CID 108888706
(2R)-2-bromo-N-[2-(4-chlorophenyl)ethyl]butanamide
CID 92864169
N-[2-(4-chlorophenyl)ethyl]-2-cyclohexylacetamide
CID 112789122
N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108985796
(2S)-N-[2-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34947799

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-cyclopropyl-3-methylbutanamide?
The IUPAC name of (2R)-N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-cyclopropyl-3-methylbutanamide (CID 22082563) is (2R)-N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-cyclopropyl-3-methylbutanamide.
What is the SMILES notation for (2R)-N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-cyclopropyl-3-methylbutanamide?
The canonical SMILES for (2R)-N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-cyclopropyl-3-methylbutanamide is CC(C)(C1CC1)[C@H](C#N)C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of (2R)-N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-cyclopropyl-3-methylbutanamide?
The InChIKey is YFYKUFPOZRSWSE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-17(2,13-5-6-13)15(11-19)16(21)20-10-9-12-3-7-14(18)8-4-12/h3-4,7-8,13,15H,5-6,9-10H2,1-2H3,(H,20,21)/t15-/m1/s1.
What are the key properties of (2R)-N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-cyclopropyl-3-methylbutanamide?
(2R)-N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-cyclopropyl-3-methylbutanamide has a molecular weight of 304.82 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-cyclopropyl-3-methylbutanamide is sourced from PubChem (CID 22082563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).