N'-benzyl-N-(2-chloro-4,6-dimethylphenyl)-N'-propan-2-yloxamide

C20H23ClN2O2 — CID 108503582

IUPACN'-benzyl-N-(2-chloro-4,6-dimethylphenyl)-N'-propan-2-yloxamide
SMILESCc1cc(C)c(NC(=O)C(=O)N(Cc2ccccc2)C(C)C)c(Cl)c1
InChIInChI=1S/C20H23ClN2O2/c1-13(2)23(12-16-8-6-5-7-9-16)20(25)19(24)22-18-15(4)10-14(3)11-17(18)21/h5-11,13H,12H2,1-4H3,(H,22,24)
InChIKeyGTMNWHQCBKTTHO-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.33
Rot. Bonds4

About N'-benzyl-N-(2-chloro-4,6-dimethylphenyl)-N'-propan-2-yloxamide

N'-benzyl-N-(2-chloro-4,6-dimethylphenyl)-N'-propan-2-yloxamide (PubChem CID 108503582) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N'-benzyl-N-(2-chloro-4,6-dimethylphenyl)-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN'-benzyl-N-(2-chloro-4,6-dimethylphenyl)-N'-propan-2-yloxamide
PubChem CID108503582
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN'-benzyl-N-(2-chloro-4,6-dimethylphenyl)-N'-propan-2-yloxamide
SMILESCc1cc(C)c(NC(=O)C(=O)N(Cc2ccccc2)C(C)C)c(Cl)c1
InChIInChI=1S/C20H23ClN2O2/c1-13(2)23(12-16-8-6-5-7-9-16)20(25)19(24)22-18-15(4)10-14(3)11-17(18)21/h5-11,13H,12H2,1-4H3,(H,22,24)
InChIKeyGTMNWHQCBKTTHO-UHFFFAOYSA-N
XLogP4.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-benzyl-3-(2-chloro-4,6-dimethylanilino)-2-cyano-N-propan-2-ylprop-2-enamide
CID 108830118
N'-benzyl-N'-propan-2-yl-N-(2,4,6-trimethylphenyl)propanediamide
CID 108951691
N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-phenyloxamide
CID 108521008
2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 31996292
N'-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-propan-2-yloxamide
CID 108503417
1-N'-benzyl-1-N'-propan-2-yl-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979580
N'-benzyl-N-tert-butyl-N'-propan-2-yloxamide
CID 108503369
N-(2-chloro-4,6-dimethylphenyl)-2-(3-phenylpropylamino)acetamide
CID 109005062
N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108532234
N-(2-aminoethyl)-N'-benzyl-N'-propan-2-yloxamide
CID 43316028
1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea
CID 731680
N'-benzyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-N'-propan-2-yloxamide
CID 108503570

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(2-chloro-4,6-dimethylphenyl)-N'-propan-2-yloxamide?
The IUPAC name of N'-benzyl-N-(2-chloro-4,6-dimethylphenyl)-N'-propan-2-yloxamide (CID 108503582) is N'-benzyl-N-(2-chloro-4,6-dimethylphenyl)-N'-propan-2-yloxamide.
What is the SMILES notation for N'-benzyl-N-(2-chloro-4,6-dimethylphenyl)-N'-propan-2-yloxamide?
The canonical SMILES for N'-benzyl-N-(2-chloro-4,6-dimethylphenyl)-N'-propan-2-yloxamide is Cc1cc(C)c(NC(=O)C(=O)N(Cc2ccccc2)C(C)C)c(Cl)c1.
What is the InChIKey of N'-benzyl-N-(2-chloro-4,6-dimethylphenyl)-N'-propan-2-yloxamide?
The InChIKey is GTMNWHQCBKTTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-13(2)23(12-16-8-6-5-7-9-16)20(25)19(24)22-18-15(4)10-14(3)11-17(18)21/h5-11,13H,12H2,1-4H3,(H,22,24).
What are the key properties of N'-benzyl-N-(2-chloro-4,6-dimethylphenyl)-N'-propan-2-yloxamide?
N'-benzyl-N-(2-chloro-4,6-dimethylphenyl)-N'-propan-2-yloxamide has a molecular weight of 358.87 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(2-chloro-4,6-dimethylphenyl)-N'-propan-2-yloxamide is sourced from PubChem (CID 108503582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).