(2R)-N-(2-chlorophenyl)-2-cyano-3-cyclohexyl-3-oxopropanamide

C16H17ClN2O2 — CID 98450230

IUPAC(2R)-N-(2-chlorophenyl)-2-cyano-3-cyclohexyl-3-oxopropanamide
SMILESN#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)C1CCCCC1
InChIInChI=1S/C16H17ClN2O2/c17-13-8-4-5-9-14(13)19-16(21)12(10-18)15(20)11-6-2-1-3-7-11/h4-5,8-9,11-12H,1-3,6-7H2,(H,19,21)/t12-/m1/s1
InChIKeyCWFKSUJBACRLMW-GFCCVEGCSA-N
MW304.78 g/mol
LogP3.57
Rot. Bonds4

About (2R)-N-(2-chlorophenyl)-2-cyano-3-cyclohexyl-3-oxopropanamide

(2R)-N-(2-chlorophenyl)-2-cyano-3-cyclohexyl-3-oxopropanamide (PubChem CID 98450230) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is (2R)-N-(2-chlorophenyl)-2-cyano-3-cyclohexyl-3-oxopropanamide.

Molecular Properties

Compound Name(2R)-N-(2-chlorophenyl)-2-cyano-3-cyclohexyl-3-oxopropanamide
PubChem CID98450230
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name(2R)-N-(2-chlorophenyl)-2-cyano-3-cyclohexyl-3-oxopropanamide
SMILESN#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)C1CCCCC1
InChIInChI=1S/C16H17ClN2O2/c17-13-8-4-5-9-14(13)19-16(21)12(10-18)15(20)11-6-2-1-3-7-11/h4-5,8-9,11-12H,1-3,6-7H2,(H,19,21)/t12-/m1/s1
InChIKeyCWFKSUJBACRLMW-GFCCVEGCSA-N
XLogP3.57
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-cyano-3-cyclooctyl-N-methyl-3-oxopropanamide
CID 99812743
2-cyano-3-cyclopentyl-N-(3-methylphenyl)-3-oxopropanamide
CID 47275634
2-acetamido-N-(2-chlorophenyl)-2-cyclopentylacetamide
CID 42885299
(2R)-N-(2-chlorophenyl)-2-cyano-3-oxo-5-phenylpentanamide
CID 98450225
(2R)-N-(2-chlorophenyl)-4-(4-chlorophenyl)-2-cyano-3-oxobutanamide
CID 96570954
N-[4-(4-chlorobenzoyl)phenyl]-2-cyano-3-cyclopropyl-3-oxopropanamide
CID 54399848
(2S)-N-(2-chlorophenyl)-2-cyano-4-(4-methylphenyl)-3-oxobutanamide
CID 96570962
(2S)-2-cyano-3-cyclopentyl-N-[4-(difluoromethylsulfanyl)phenyl]-3-oxopropanamide
CID 98431547
(2R)-N-(2-chlorophenyl)-2-cyano-4-(2-methoxyphenyl)-3-oxobutanamide
CID 98450255
2-cyano-3-cyclopropyl-N-(4-methylphenyl)-3-oxopropanamide
CID 47275544
N'-(2-chlorophenyl)-N-cyclohexyloxamide
CID 7541659
(Z)-N-(2-chlorophenyl)-2-cyano-3-(cyclohexylamino)prop-2-enamide
CID 108824294

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chlorophenyl)-2-cyano-3-cyclohexyl-3-oxopropanamide?
The IUPAC name of (2R)-N-(2-chlorophenyl)-2-cyano-3-cyclohexyl-3-oxopropanamide (CID 98450230) is (2R)-N-(2-chlorophenyl)-2-cyano-3-cyclohexyl-3-oxopropanamide.
What is the SMILES notation for (2R)-N-(2-chlorophenyl)-2-cyano-3-cyclohexyl-3-oxopropanamide?
The canonical SMILES for (2R)-N-(2-chlorophenyl)-2-cyano-3-cyclohexyl-3-oxopropanamide is N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)C1CCCCC1.
What is the InChIKey of (2R)-N-(2-chlorophenyl)-2-cyano-3-cyclohexyl-3-oxopropanamide?
The InChIKey is CWFKSUJBACRLMW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-13-8-4-5-9-14(13)19-16(21)12(10-18)15(20)11-6-2-1-3-7-11/h4-5,8-9,11-12H,1-3,6-7H2,(H,19,21)/t12-/m1/s1.
What are the key properties of (2R)-N-(2-chlorophenyl)-2-cyano-3-cyclohexyl-3-oxopropanamide?
(2R)-N-(2-chlorophenyl)-2-cyano-3-cyclohexyl-3-oxopropanamide has a molecular weight of 304.78 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chlorophenyl)-2-cyano-3-cyclohexyl-3-oxopropanamide is sourced from PubChem (CID 98450230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).