1-[(4-chlorophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)cyclopentane-1-carboxamide

C16H22ClNO3 — CID 86789978

IUPAC1-[(4-chlorophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)cyclopentane-1-carboxamide
SMILESO=C(NC(CO)CO)C1(Cc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C16H22ClNO3/c17-13-5-3-12(4-6-13)9-16(7-1-2-8-16)15(21)18-14(10-19)11-20/h3-6,14,19-20H,1-2,7-11H2,(H,18,21)
InChIKeyHXLIQFFXEBSPGB-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.91
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)cyclopentane-1-carboxamide

1-[(4-chlorophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)cyclopentane-1-carboxamide (PubChem CID 86789978) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)cyclopentane-1-carboxamide
PubChem CID86789978
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)cyclopentane-1-carboxamide
SMILESO=C(NC(CO)CO)C1(Cc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C16H22ClNO3/c17-13-5-3-12(4-6-13)9-16(7-1-2-8-16)15(21)18-14(10-19)11-20/h3-6,14,19-20H,1-2,7-11H2,(H,18,21)
InChIKeyHXLIQFFXEBSPGB-UHFFFAOYSA-N
XLogP1.91
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)cyclopentane-1-carboxamide (CID 86789978) is 1-[(4-chlorophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)cyclopentane-1-carboxamide is O=C(NC(CO)CO)C1(Cc2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)cyclopentane-1-carboxamide?
The InChIKey is HXLIQFFXEBSPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3/c17-13-5-3-12(4-6-13)9-16(7-1-2-8-16)15(21)18-14(10-19)11-20/h3-6,14,19-20H,1-2,7-11H2,(H,18,21).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)cyclopentane-1-carboxamide?
1-[(4-chlorophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)cyclopentane-1-carboxamide has a molecular weight of 311.81 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 86789978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).