N-carbamoyl-2-(3,4-dichlorophenyl)-4-methylpentanamide

C13H16Cl2N2O2 — CID 18626649

IUPACN-carbamoyl-2-(3,4-dichlorophenyl)-4-methylpentanamide
SMILESCC(C)CC(C(=O)NC(N)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c1-7(2)5-9(12(18)17-13(16)19)8-3-4-10(14)11(15)6-8/h3-4,6-7,9H,5H2,1-2H3,(H3,16,17,18,19)
InChIKeyRXUBUMUJUSDVOE-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.32
Rot. Bonds4

About N-carbamoyl-2-(3,4-dichlorophenyl)-4-methylpentanamide

N-carbamoyl-2-(3,4-dichlorophenyl)-4-methylpentanamide (PubChem CID 18626649) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is N-carbamoyl-2-(3,4-dichlorophenyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(3,4-dichlorophenyl)-4-methylpentanamide
PubChem CID18626649
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC NameN-carbamoyl-2-(3,4-dichlorophenyl)-4-methylpentanamide
SMILESCC(C)CC(C(=O)NC(N)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c1-7(2)5-9(12(18)17-13(16)19)8-3-4-10(14)11(15)6-8/h3-4,6-7,9H,5H2,1-2H3,(H3,16,17,18,19)
InChIKeyRXUBUMUJUSDVOE-UHFFFAOYSA-N
XLogP3.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(3,4-dichlorophenyl)-4-methylpentanamide?
The IUPAC name of N-carbamoyl-2-(3,4-dichlorophenyl)-4-methylpentanamide (CID 18626649) is N-carbamoyl-2-(3,4-dichlorophenyl)-4-methylpentanamide.
What is the SMILES notation for N-carbamoyl-2-(3,4-dichlorophenyl)-4-methylpentanamide?
The canonical SMILES for N-carbamoyl-2-(3,4-dichlorophenyl)-4-methylpentanamide is CC(C)CC(C(=O)NC(N)=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-carbamoyl-2-(3,4-dichlorophenyl)-4-methylpentanamide?
The InChIKey is RXUBUMUJUSDVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-7(2)5-9(12(18)17-13(16)19)8-3-4-10(14)11(15)6-8/h3-4,6-7,9H,5H2,1-2H3,(H3,16,17,18,19).
What are the key properties of N-carbamoyl-2-(3,4-dichlorophenyl)-4-methylpentanamide?
N-carbamoyl-2-(3,4-dichlorophenyl)-4-methylpentanamide has a molecular weight of 303.19 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(3,4-dichlorophenyl)-4-methylpentanamide is sourced from PubChem (CID 18626649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).