2-[4-(3-acetamidophenyl)phenyl]cyclopentane-1-carboxamide

C20H22N2O2 — CID 18006334

IUPAC2-[4-(3-acetamidophenyl)phenyl]cyclopentane-1-carboxamide
SMILESCC(=O)Nc1cccc(-c2ccc(C3CCCC3C(N)=O)cc2)c1
InChIInChI=1S/C20H22N2O2/c1-13(23)22-17-5-2-4-16(12-17)14-8-10-15(11-9-14)18-6-3-7-19(18)20(21)24/h2,4-5,8-12,18-19H,3,6-7H2,1H3,(H2,21,24)(H,22,23)
InChIKeyCPWDYFMTCULVBC-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.68
Rot. Bonds4

About 2-[4-(3-acetamidophenyl)phenyl]cyclopentane-1-carboxamide

2-[4-(3-acetamidophenyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 18006334) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[4-(3-acetamidophenyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[4-(3-acetamidophenyl)phenyl]cyclopentane-1-carboxamide
PubChem CID18006334
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-[4-(3-acetamidophenyl)phenyl]cyclopentane-1-carboxamide
SMILESCC(=O)Nc1cccc(-c2ccc(C3CCCC3C(N)=O)cc2)c1
InChIInChI=1S/C20H22N2O2/c1-13(23)22-17-5-2-4-16(12-17)14-8-10-15(11-9-14)18-6-3-7-19(18)20(21)24/h2,4-5,8-12,18-19H,3,6-7H2,1H3,(H2,21,24)(H,22,23)
InChIKeyCPWDYFMTCULVBC-UHFFFAOYSA-N
XLogP3.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-acetamidophenyl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-[4-(3-acetamidophenyl)phenyl]cyclopentane-1-carboxamide (CID 18006334) is 2-[4-(3-acetamidophenyl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[4-(3-acetamidophenyl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-[4-(3-acetamidophenyl)phenyl]cyclopentane-1-carboxamide is CC(=O)Nc1cccc(-c2ccc(C3CCCC3C(N)=O)cc2)c1.
What is the InChIKey of 2-[4-(3-acetamidophenyl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is CPWDYFMTCULVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13(23)22-17-5-2-4-16(12-17)14-8-10-15(11-9-14)18-6-3-7-19(18)20(21)24/h2,4-5,8-12,18-19H,3,6-7H2,1H3,(H2,21,24)(H,22,23).
What are the key properties of 2-[4-(3-acetamidophenyl)phenyl]cyclopentane-1-carboxamide?
2-[4-(3-acetamidophenyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-acetamidophenyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 18006334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).