N-(2-chloro-4-methylphenyl)-N'-[(2R)-1-cyanopropan-2-yl]-N'-methyloxamide

C14H16ClN3O2 — CID 129381802

IUPACN-(2-chloro-4-methylphenyl)-N'-[(2R)-1-cyanopropan-2-yl]-N'-methyloxamide
SMILESCc1ccc(NC(=O)C(=O)N(C)[C@H](C)CC#N)c(Cl)c1
InChIInChI=1S/C14H16ClN3O2/c1-9-4-5-12(11(15)8-9)17-13(19)14(20)18(3)10(2)6-7-16/h4-5,8,10H,6H2,1-3H3,(H,17,19)/t10-/m1/s1
InChIKeyDANVDVPXBJVLBF-SNVBAGLBSA-N
MW293.75 g/mol
LogP2.35
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-N'-[(2R)-1-cyanopropan-2-yl]-N'-methyloxamide

N-(2-chloro-4-methylphenyl)-N'-[(2R)-1-cyanopropan-2-yl]-N'-methyloxamide (PubChem CID 129381802) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-N'-[(2R)-1-cyanopropan-2-yl]-N'-methyloxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-N'-[(2R)-1-cyanopropan-2-yl]-N'-methyloxamide
PubChem CID129381802
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC NameN-(2-chloro-4-methylphenyl)-N'-[(2R)-1-cyanopropan-2-yl]-N'-methyloxamide
SMILESCc1ccc(NC(=O)C(=O)N(C)[C@H](C)CC#N)c(Cl)c1
InChIInChI=1S/C14H16ClN3O2/c1-9-4-5-12(11(15)8-9)17-13(19)14(20)18(3)10(2)6-7-16/h4-5,8,10H,6H2,1-3H3,(H,17,19)/t10-/m1/s1
InChIKeyDANVDVPXBJVLBF-SNVBAGLBSA-N
XLogP2.35
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(2-chloro-4-methylphenyl)-N'-[(2R)-1-cyanopropan-2-yl]-N'-methyloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-5-fluorophenyl)-N'-(1-cyanopropan-2-yl)-N'-methyloxamide
CID 119044037
N-(1-cyanopropan-2-yl)-N,5-dimethyl-2-(methylamino)benzamide
CID 63228598
N-(3-bromophenyl)-N'-[(2S)-1-cyanopropan-2-yl]-N'-methyloxamide
CID 129381790
N'-[(2R)-1-cyanopropan-2-yl]-N'-methyl-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]oxamide
CID 129381763
N'-[(2S)-1-cyanopropan-2-yl]-N-(1H-indol-4-yl)-N'-methyloxamide
CID 99632176
N'-[(2R)-1-cyanopropan-2-yl]-N'-methyl-N-[3-(2,2,2-trifluoroethyl)phenyl]oxamide
CID 99631966
N-(2-chloro-4-methylphenyl)-2-methylpentanamide
CID 67710308
(2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide
CID 28881797
(2S)-2-amino-N-(2-chloro-4-methylphenyl)-3-methylbutanamide
CID 28967933
(2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-methylbutanamide
CID 28967931
N'-(1-cyanopropan-2-yl)-N'-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]oxamide
CID 119044033
1-(2-chloro-4-methylphenyl)-3-ethylurea
CID 21161481

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-N'-[(2R)-1-cyanopropan-2-yl]-N'-methyloxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-N'-[(2R)-1-cyanopropan-2-yl]-N'-methyloxamide (CID 129381802) is N-(2-chloro-4-methylphenyl)-N'-[(2R)-1-cyanopropan-2-yl]-N'-methyloxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-N'-[(2R)-1-cyanopropan-2-yl]-N'-methyloxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-N'-[(2R)-1-cyanopropan-2-yl]-N'-methyloxamide is Cc1ccc(NC(=O)C(=O)N(C)[C@H](C)CC#N)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-N'-[(2R)-1-cyanopropan-2-yl]-N'-methyloxamide?
The InChIKey is DANVDVPXBJVLBF-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-9-4-5-12(11(15)8-9)17-13(19)14(20)18(3)10(2)6-7-16/h4-5,8,10H,6H2,1-3H3,(H,17,19)/t10-/m1/s1.
What are the key properties of N-(2-chloro-4-methylphenyl)-N'-[(2R)-1-cyanopropan-2-yl]-N'-methyloxamide?
N-(2-chloro-4-methylphenyl)-N'-[(2R)-1-cyanopropan-2-yl]-N'-methyloxamide has a molecular weight of 293.75 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-N'-[(2R)-1-cyanopropan-2-yl]-N'-methyloxamide is sourced from PubChem (CID 129381802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).