N-(4-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide

C19H20ClNO — CID 46891305

IUPACN-(4-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide
SMILESCN(C(=O)C1(c2ccccc2)CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO/c1-21(17-11-9-16(20)10-12-17)18(22)19(13-5-6-14-19)15-7-3-2-4-8-15/h2-4,7-12H,5-6,13-14H2,1H3
InChIKeyKUYBFDIXOPPAFS-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.81
Rot. Bonds3

About N-(4-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide

N-(4-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide (PubChem CID 46891305) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide
PubChem CID46891305
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC NameN-(4-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide
SMILESCN(C(=O)C1(c2ccccc2)CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO/c1-21(17-11-9-16(20)10-12-17)18(22)19(13-5-6-14-19)15-7-3-2-4-8-15/h2-4,7-12H,5-6,13-14H2,1H3
InChIKeyKUYBFDIXOPPAFS-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-(4-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide (CID 46891305) is N-(4-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide is CN(C(=O)C1(c2ccccc2)CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide?
The InChIKey is KUYBFDIXOPPAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-21(17-11-9-16(20)10-12-17)18(22)19(13-5-6-14-19)15-7-3-2-4-8-15/h2-4,7-12H,5-6,13-14H2,1H3.
What are the key properties of N-(4-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide?
N-(4-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-(4-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 46891305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).