(2R)-N-(2-chlorophenyl)-2-cyano-4-(2-methoxyphenyl)-3-oxobutanamide

C18H15ClN2O3 — CID 98450255

IUPAC(2R)-N-(2-chlorophenyl)-2-cyano-4-(2-methoxyphenyl)-3-oxobutanamide
SMILESCOc1ccccc1CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H15ClN2O3/c1-24-17-9-5-2-6-12(17)10-16(22)13(11-20)18(23)21-15-8-4-3-7-14(15)19/h2-9,13H,10H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyLVEDIWRMUODRPY-CYBMUJFWSA-N
MW342.78 g/mol
LogP3.24
Rot. Bonds6

About (2R)-N-(2-chlorophenyl)-2-cyano-4-(2-methoxyphenyl)-3-oxobutanamide

(2R)-N-(2-chlorophenyl)-2-cyano-4-(2-methoxyphenyl)-3-oxobutanamide (PubChem CID 98450255) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is (2R)-N-(2-chlorophenyl)-2-cyano-4-(2-methoxyphenyl)-3-oxobutanamide.

Molecular Properties

Compound Name(2R)-N-(2-chlorophenyl)-2-cyano-4-(2-methoxyphenyl)-3-oxobutanamide
PubChem CID98450255
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name(2R)-N-(2-chlorophenyl)-2-cyano-4-(2-methoxyphenyl)-3-oxobutanamide
SMILESCOc1ccccc1CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H15ClN2O3/c1-24-17-9-5-2-6-12(17)10-16(22)13(11-20)18(23)21-15-8-4-3-7-14(15)19/h2-9,13H,10H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyLVEDIWRMUODRPY-CYBMUJFWSA-N
XLogP3.24
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(2-chlorophenyl)-2-cyano-4-(4-methylphenyl)-3-oxobutanamide
CID 96570962
(2R)-N-(2-chlorophenyl)-4-(4-chlorophenyl)-2-cyano-3-oxobutanamide
CID 96570954
(2R)-N-(2-chlorophenyl)-2-cyano-3-oxo-5-phenylpentanamide
CID 98450225
(2R)-N-(2-chlorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 42082100
N-(2-chlorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 4943122
1-(2-chlorophenyl)-3-(2-cyano-6-methoxyphenyl)urea
CID 107468189
4-N-(2-chlorophenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 109047395
N-(2-chlorophenyl)-2-cyano-3-(5-ethyl-4-methylthiophen-2-yl)-3-oxopropanamide
CID 51119464
3-cyano-N-(2-methoxyphenyl)-2-methylpropanamide
CID 82114035
(2R)-N-(2-chlorophenyl)-2-cyano-3-cyclohexyl-3-oxopropanamide
CID 98450230
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 4613868
[2-(2-chloroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871123

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chlorophenyl)-2-cyano-4-(2-methoxyphenyl)-3-oxobutanamide?
The IUPAC name of (2R)-N-(2-chlorophenyl)-2-cyano-4-(2-methoxyphenyl)-3-oxobutanamide (CID 98450255) is (2R)-N-(2-chlorophenyl)-2-cyano-4-(2-methoxyphenyl)-3-oxobutanamide.
What is the SMILES notation for (2R)-N-(2-chlorophenyl)-2-cyano-4-(2-methoxyphenyl)-3-oxobutanamide?
The canonical SMILES for (2R)-N-(2-chlorophenyl)-2-cyano-4-(2-methoxyphenyl)-3-oxobutanamide is COc1ccccc1CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl.
What is the InChIKey of (2R)-N-(2-chlorophenyl)-2-cyano-4-(2-methoxyphenyl)-3-oxobutanamide?
The InChIKey is LVEDIWRMUODRPY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-24-17-9-5-2-6-12(17)10-16(22)13(11-20)18(23)21-15-8-4-3-7-14(15)19/h2-9,13H,10H2,1H3,(H,21,23)/t13-/m1/s1.
What are the key properties of (2R)-N-(2-chlorophenyl)-2-cyano-4-(2-methoxyphenyl)-3-oxobutanamide?
(2R)-N-(2-chlorophenyl)-2-cyano-4-(2-methoxyphenyl)-3-oxobutanamide has a molecular weight of 342.78 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chlorophenyl)-2-cyano-4-(2-methoxyphenyl)-3-oxobutanamide is sourced from PubChem (CID 98450255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).