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

C19H20ClNO — CID 35571496

IUPACN-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C19H20ClNO/c20-17-10-8-15(9-11-17)14-21-18(22)19(12-4-5-13-19)16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-14H2,(H,21,22)
InChIKeyOCXUYSHJJGDWAR-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.47
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide (PubChem CID 35571496) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide
PubChem CID35571496
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC NameN-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C19H20ClNO/c20-17-10-8-15(9-11-17)14-21-18(22)19(12-4-5-13-19)16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-14H2,(H,21,22)
InChIKeyOCXUYSHJJGDWAR-UHFFFAOYSA-N
XLogP4.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.47
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-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide (CID 35571496) is N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide is O=C(NCc1ccc(Cl)cc1)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide?
The InChIKey is OCXUYSHJJGDWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c20-17-10-8-15(9-11-17)14-21-18(22)19(12-4-5-13-19)16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-14H2,(H,21,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide?
N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide has a molecular weight of 313.83 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 35571496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).