N-carbamoyl-3-cyclopentyl-2-(3,4-dichlorophenyl)propanamide

C15H18Cl2N2O2 — CID 18626611

IUPACN-carbamoyl-3-cyclopentyl-2-(3,4-dichlorophenyl)propanamide
SMILESNC(=O)NC(=O)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H18Cl2N2O2/c16-12-6-5-10(8-13(12)17)11(14(20)19-15(18)21)7-9-3-1-2-4-9/h5-6,8-9,11H,1-4,7H2,(H3,18,19,20,21)
InChIKeyUTSSQUFMGVEPGN-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.85
Rot. Bonds4

About N-carbamoyl-3-cyclopentyl-2-(3,4-dichlorophenyl)propanamide

N-carbamoyl-3-cyclopentyl-2-(3,4-dichlorophenyl)propanamide (PubChem CID 18626611) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is N-carbamoyl-3-cyclopentyl-2-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-cyclopentyl-2-(3,4-dichlorophenyl)propanamide
PubChem CID18626611
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC NameN-carbamoyl-3-cyclopentyl-2-(3,4-dichlorophenyl)propanamide
SMILESNC(=O)NC(=O)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H18Cl2N2O2/c16-12-6-5-10(8-13(12)17)11(14(20)19-15(18)21)7-9-3-1-2-4-9/h5-6,8-9,11H,1-4,7H2,(H3,18,19,20,21)
InChIKeyUTSSQUFMGVEPGN-UHFFFAOYSA-N
XLogP3.85
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-cyclopentyl-2-(3,4-dichlorophenyl)propanamide?
The IUPAC name of N-carbamoyl-3-cyclopentyl-2-(3,4-dichlorophenyl)propanamide (CID 18626611) is N-carbamoyl-3-cyclopentyl-2-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for N-carbamoyl-3-cyclopentyl-2-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for N-carbamoyl-3-cyclopentyl-2-(3,4-dichlorophenyl)propanamide is NC(=O)NC(=O)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-carbamoyl-3-cyclopentyl-2-(3,4-dichlorophenyl)propanamide?
The InChIKey is UTSSQUFMGVEPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c16-12-6-5-10(8-13(12)17)11(14(20)19-15(18)21)7-9-3-1-2-4-9/h5-6,8-9,11H,1-4,7H2,(H3,18,19,20,21).
What are the key properties of N-carbamoyl-3-cyclopentyl-2-(3,4-dichlorophenyl)propanamide?
N-carbamoyl-3-cyclopentyl-2-(3,4-dichlorophenyl)propanamide has a molecular weight of 329.23 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-cyclopentyl-2-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 18626611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).