(2R)-2-cyano-N-cyclohexyl-3-(3,5-dichlorophenyl)-3-oxopropanamide

C16H16Cl2N2O2 — CID 98431549

IUPAC(2R)-2-cyano-N-cyclohexyl-3-(3,5-dichlorophenyl)-3-oxopropanamide
SMILESN#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H16Cl2N2O2/c17-11-6-10(7-12(18)8-11)15(21)14(9-19)16(22)20-13-4-2-1-3-5-13/h6-8,13-14H,1-5H2,(H,20,22)/t14-/m1/s1
InChIKeyAYCLHSBXRXEZPK-CQSZACIVSA-N
MW339.22 g/mol
LogP3.76
Rot. Bonds4

About (2R)-2-cyano-N-cyclohexyl-3-(3,5-dichlorophenyl)-3-oxopropanamide

(2R)-2-cyano-N-cyclohexyl-3-(3,5-dichlorophenyl)-3-oxopropanamide (PubChem CID 98431549) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is (2R)-2-cyano-N-cyclohexyl-3-(3,5-dichlorophenyl)-3-oxopropanamide.

Molecular Properties

Compound Name(2R)-2-cyano-N-cyclohexyl-3-(3,5-dichlorophenyl)-3-oxopropanamide
PubChem CID98431549
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name(2R)-2-cyano-N-cyclohexyl-3-(3,5-dichlorophenyl)-3-oxopropanamide
SMILESN#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H16Cl2N2O2/c17-11-6-10(7-12(18)8-11)15(21)14(9-19)16(22)20-13-4-2-1-3-5-13/h6-8,13-14H,1-5H2,(H,20,22)/t14-/m1/s1
InChIKeyAYCLHSBXRXEZPK-CQSZACIVSA-N
XLogP3.76
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 53.76
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

2-cyano-N-cyclohexyl-3-(4-fluorophenyl)-3-oxopropanamide
CID 51086390
(2R)-2-cyano-N,3-dicyclohexyl-3-oxopropanamide
CID 94189765
2-cyano-N,3-dicyclohexyl-3-oxopropanamide
CID 47052901
(2R)-2-cyano-N-cyclohexyl-3-oxo-3-(4-pyrazin-2-ylphenyl)propanamide
CID 99696534
(2R)-2-cyano-N-cyclohexyl-3-oxo-3-[4-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 98450066
2-cyano-N-cyclohexyl-3-[2-(2,4-dichlorophenyl)ethylimino]butanamide
CID 7368156
(2R)-2-cyano-N-cyclohexyl-3-[(2R)-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl]-3-oxopropanamide
CID 98450060
(2R)-2-cyano-N-cyclopentyl-3,6-dioxo-6-phenylhexanamide
CID 98200987
2-cyclohexyl-2-[(3,5-dichlorobenzoyl)amino]acetic acid
CID 61014510
3-chloro-N-[cyano(cyclohexyl)methyl]-5-methylbenzamide
CID 81001939
1-[cyano(cyclohexyl)methyl]-3-(3,5-dichlorophenyl)urea
CID 107653440
3-chloro-N-cyclopentyl-5-methylbenzamide
CID 80948177

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-N-cyclohexyl-3-(3,5-dichlorophenyl)-3-oxopropanamide?
The IUPAC name of (2R)-2-cyano-N-cyclohexyl-3-(3,5-dichlorophenyl)-3-oxopropanamide (CID 98431549) is (2R)-2-cyano-N-cyclohexyl-3-(3,5-dichlorophenyl)-3-oxopropanamide.
What is the SMILES notation for (2R)-2-cyano-N-cyclohexyl-3-(3,5-dichlorophenyl)-3-oxopropanamide?
The canonical SMILES for (2R)-2-cyano-N-cyclohexyl-3-(3,5-dichlorophenyl)-3-oxopropanamide is N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (2R)-2-cyano-N-cyclohexyl-3-(3,5-dichlorophenyl)-3-oxopropanamide?
The InChIKey is AYCLHSBXRXEZPK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c17-11-6-10(7-12(18)8-11)15(21)14(9-19)16(22)20-13-4-2-1-3-5-13/h6-8,13-14H,1-5H2,(H,20,22)/t14-/m1/s1.
What are the key properties of (2R)-2-cyano-N-cyclohexyl-3-(3,5-dichlorophenyl)-3-oxopropanamide?
(2R)-2-cyano-N-cyclohexyl-3-(3,5-dichlorophenyl)-3-oxopropanamide has a molecular weight of 339.22 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-N-cyclohexyl-3-(3,5-dichlorophenyl)-3-oxopropanamide is sourced from PubChem (CID 98431549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).