4-chloro-N-[4-(4-hydroxypyrrolidin-3-yl)phenyl]benzamide

C17H17ClN2O2 — CID 67238737

IUPAC4-chloro-N-[4-(4-hydroxypyrrolidin-3-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(C2CNCC2O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c18-13-5-1-12(2-6-13)17(22)20-14-7-3-11(4-8-14)15-9-19-10-16(15)21/h1-8,15-16,19,21H,9-10H2,(H,20,22)
InChIKeyKJUMFGHKFBIFOX-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.64
Rot. Bonds3

About 4-chloro-N-[4-(4-hydroxypyrrolidin-3-yl)phenyl]benzamide

4-chloro-N-[4-(4-hydroxypyrrolidin-3-yl)phenyl]benzamide (PubChem CID 67238737) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 4-chloro-N-[4-(4-hydroxypyrrolidin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(4-hydroxypyrrolidin-3-yl)phenyl]benzamide
PubChem CID67238737
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name4-chloro-N-[4-(4-hydroxypyrrolidin-3-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(C2CNCC2O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c18-13-5-1-12(2-6-13)17(22)20-14-7-3-11(4-8-14)15-9-19-10-16(15)21/h1-8,15-16,19,21H,9-10H2,(H,20,22)
InChIKeyKJUMFGHKFBIFOX-UHFFFAOYSA-N
XLogP2.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-ol
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4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
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N-(4-chlorophenyl)benzamide;hydrochloride
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N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017
4-chloro-N-[4-[[(3R)-pyrrolidin-3-yl]methyl]phenyl]benzamide
CID 124566275
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
N-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
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4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide
CID 12734406

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(4-hydroxypyrrolidin-3-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(4-hydroxypyrrolidin-3-yl)phenyl]benzamide (CID 67238737) is 4-chloro-N-[4-(4-hydroxypyrrolidin-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(4-hydroxypyrrolidin-3-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(4-hydroxypyrrolidin-3-yl)phenyl]benzamide is O=C(Nc1ccc(C2CNCC2O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(4-hydroxypyrrolidin-3-yl)phenyl]benzamide?
The InChIKey is KJUMFGHKFBIFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-13-5-1-12(2-6-13)17(22)20-14-7-3-11(4-8-14)15-9-19-10-16(15)21/h1-8,15-16,19,21H,9-10H2,(H,20,22).
What are the key properties of 4-chloro-N-[4-(4-hydroxypyrrolidin-3-yl)phenyl]benzamide?
4-chloro-N-[4-(4-hydroxypyrrolidin-3-yl)phenyl]benzamide has a molecular weight of 316.79 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(4-hydroxypyrrolidin-3-yl)phenyl]benzamide is sourced from PubChem (CID 67238737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).