N-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide

C13H15BrClNO — CID 103578301

IUPACN-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C13H15BrClNO/c1-8-4-2-5-9(8)13(17)16-11-7-3-6-10(15)12(11)14/h3,6-9H,2,4-5H2,1H3,(H,16,17)
InChIKeyOFIZGVZVQXGOST-UHFFFAOYSA-N
MW316.63 g/mol
LogP4.48
Rot. Bonds2

About N-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide

N-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide (PubChem CID 103578301) has the molecular formula C13H15BrClNO and a molecular weight of 316.63 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide
PubChem CID103578301
Molecular FormulaC13H15BrClNO
Molecular Weight316.63 g/mol
Exact Mass315.00
IUPAC NameN-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C13H15BrClNO/c1-8-4-2-5-9(8)13(17)16-11-7-3-6-10(15)12(11)14/h3,6-9H,2,4-5H2,1H3,(H,16,17)
InChIKeyOFIZGVZVQXGOST-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.63
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide (CID 103578301) is N-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide is CC1CCCC1C(=O)Nc1cccc(Cl)c1Br.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide?
The InChIKey is OFIZGVZVQXGOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO/c1-8-4-2-5-9(8)13(17)16-11-7-3-6-10(15)12(11)14/h3,6-9H,2,4-5H2,1H3,(H,16,17).
What are the key properties of N-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide?
N-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide has a molecular weight of 316.63 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 103578301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).