N-(3-chloro-2-methylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide

C17H18ClN3O2 — CID 108985602

IUPACN-(3-chloro-2-methylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)N(C)CCc1ccncc1
InChIInChI=1S/C17H18ClN3O2/c1-12-14(18)4-3-5-15(12)20-16(22)17(23)21(2)11-8-13-6-9-19-10-7-13/h3-7,9-10H,8,11H2,1-2H3,(H,20,22)
InChIKeyFVNVGLXVHBLPKN-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.68
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide

N-(3-chloro-2-methylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide (PubChem CID 108985602) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
PubChem CID108985602
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-(3-chloro-2-methylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)N(C)CCc1ccncc1
InChIInChI=1S/C17H18ClN3O2/c1-12-14(18)4-3-5-15(12)20-16(22)17(23)21(2)11-8-13-6-9-19-10-7-13/h3-7,9-10H,8,11H2,1-2H3,(H,20,22)
InChIKeyFVNVGLXVHBLPKN-UHFFFAOYSA-N
XLogP2.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide
CID 110468468
N-(3-chloro-2-methylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109260714
N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985607
N-(2-chlorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108500313
N-(2-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948946
N-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985626
1-(3-chloro-2-methylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 6470630
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985659
N-(2,4-dimethoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985621
N'-(3-chloro-2-methylphenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947833
N'-methyl-N-[(3-methylphenyl)methyl]-N'-(2-pyridin-4-ylethyl)oxamide
CID 108984689
N-(2,3-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]acetamide
CID 109001465

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide (CID 108985602) is N-(3-chloro-2-methylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide is Cc1c(Cl)cccc1NC(=O)C(=O)N(C)CCc1ccncc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide?
The InChIKey is FVNVGLXVHBLPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-12-14(18)4-3-5-15(12)20-16(22)17(23)21(2)11-8-13-6-9-19-10-7-13/h3-7,9-10H,8,11H2,1-2H3,(H,20,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide?
N-(3-chloro-2-methylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide has a molecular weight of 331.80 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide is sourced from PubChem (CID 108985602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).