4-chloro-N-[(3R,4R)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]benzamide

C17H23ClN2O2 — CID 70565949

IUPAC4-chloro-N-[(3R,4R)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CN(C2CCCCC2)C[C@H]1O)c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O2/c18-13-8-6-12(7-9-13)17(22)19-15-10-20(11-16(15)21)14-4-2-1-3-5-14/h6-9,14-16,21H,1-5,10-11H2,(H,19,22)/t15-,16-/m1/s1
InChIKeyACHSYSANXCYONU-HZPDHXFCSA-N
MW322.84 g/mol
LogP2.45
Rot. Bonds3

About 4-chloro-N-[(3R,4R)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]benzamide

4-chloro-N-[(3R,4R)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]benzamide (PubChem CID 70565949) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 4-chloro-N-[(3R,4R)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(3R,4R)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]benzamide
PubChem CID70565949
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name4-chloro-N-[(3R,4R)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CN(C2CCCCC2)C[C@H]1O)c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O2/c18-13-8-6-12(7-9-13)17(22)19-15-10-20(11-16(15)21)14-4-2-1-3-5-14/h6-9,14-16,21H,1-5,10-11H2,(H,19,22)/t15-,16-/m1/s1
InChIKeyACHSYSANXCYONU-HZPDHXFCSA-N
XLogP2.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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5-chloro-N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
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N-[2-[(4-chlorobenzoyl)amino]cyclopentyl]-4-(2-oxo-1-pyridinyl)benzamide
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CID 90679027
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491
N-[(3R,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-chlorobenzamide
CID 155506929
4-chloro-N-[2-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3R,4R)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[(3R,4R)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]benzamide (CID 70565949) is 4-chloro-N-[(3R,4R)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(3R,4R)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(3R,4R)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]benzamide is O=C(N[C@@H]1CN(C2CCCCC2)C[C@H]1O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(3R,4R)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]benzamide?
The InChIKey is ACHSYSANXCYONU-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c18-13-8-6-12(7-9-13)17(22)19-15-10-20(11-16(15)21)14-4-2-1-3-5-14/h6-9,14-16,21H,1-5,10-11H2,(H,19,22)/t15-,16-/m1/s1.
What are the key properties of 4-chloro-N-[(3R,4R)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]benzamide?
4-chloro-N-[(3R,4R)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]benzamide has a molecular weight of 322.84 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3R,4R)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]benzamide is sourced from PubChem (CID 70565949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).