N-(3-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide

C19H20ClNO — CID 46891405

IUPACN-(3-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide
SMILESCN(C(=O)C1(c2ccccc2)CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C19H20ClNO/c1-21(17-11-7-10-16(20)14-17)18(22)19(12-5-6-13-19)15-8-3-2-4-9-15/h2-4,7-11,14H,5-6,12-13H2,1H3
InChIKeyBLJYQJJKANHBMM-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.81
Rot. Bonds3

About N-(3-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide

N-(3-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide (PubChem CID 46891405) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide
PubChem CID46891405
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC NameN-(3-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide
SMILESCN(C(=O)C1(c2ccccc2)CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C19H20ClNO/c1-21(17-11-7-10-16(20)14-17)18(22)19(12-5-6-13-19)15-8-3-2-4-9-15/h2-4,7-11,14H,5-6,12-13H2,1H3
InChIKeyBLJYQJJKANHBMM-UHFFFAOYSA-N
XLogP4.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide (CID 46891405) is N-(3-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide is CN(C(=O)C1(c2ccccc2)CCCC1)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide?
The InChIKey is BLJYQJJKANHBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-21(17-11-7-10-16(20)14-17)18(22)19(12-5-6-13-19)15-8-3-2-4-9-15/h2-4,7-11,14H,5-6,12-13H2,1H3.
What are the key properties of N-(3-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide?
N-(3-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide has a molecular weight of 313.83 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 46891405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).