N-cyclohexyl-2-pyrrolidin-1-ylbenzamide

C17H24N2O — CID 168514596

IUPACN-cyclohexyl-2-pyrrolidin-1-ylbenzamide
SMILESO=C(NC1CCCCC1)c1ccccc1N1CCCC1
InChIInChI=1S/C17H24N2O/c20-17(18-14-8-2-1-3-9-14)15-10-4-5-11-16(15)19-12-6-7-13-19/h4-5,10-11,14H,1-3,6-9,12-13H2,(H,18,20)
InChIKeyZWKKGGJREBZUGU-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.35
Rot. Bonds3

About N-cyclohexyl-2-pyrrolidin-1-ylbenzamide

N-cyclohexyl-2-pyrrolidin-1-ylbenzamide (PubChem CID 168514596) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-cyclohexyl-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-pyrrolidin-1-ylbenzamide
PubChem CID168514596
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-cyclohexyl-2-pyrrolidin-1-ylbenzamide
SMILESO=C(NC1CCCCC1)c1ccccc1N1CCCC1
InChIInChI=1S/C17H24N2O/c20-17(18-14-8-2-1-3-9-14)15-10-4-5-11-16(15)19-12-6-7-13-19/h4-5,10-11,14H,1-3,6-9,12-13H2,(H,18,20)
InChIKeyZWKKGGJREBZUGU-UHFFFAOYSA-N
XLogP3.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 42656462
5-benzamido-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
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N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)benzamide
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N-cyclopropyl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848047
2-chloro-N-cyclopentylbenzamide
CID 669043
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CID 46038031
N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-morpholin-4-ylbenzamide
CID 133112648
N-cyclooctyl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 56777624
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide
CID 46038313
N-(1,1-dioxothian-4-yl)-2-morpholin-4-ylbenzamide
CID 91766122
2-chloro-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]benzamide
CID 93291101
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CID 46156012

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-cyclohexyl-2-pyrrolidin-1-ylbenzamide (CID 168514596) is N-cyclohexyl-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-cyclohexyl-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-cyclohexyl-2-pyrrolidin-1-ylbenzamide is O=C(NC1CCCCC1)c1ccccc1N1CCCC1.
What is the InChIKey of N-cyclohexyl-2-pyrrolidin-1-ylbenzamide?
The InChIKey is ZWKKGGJREBZUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(18-14-8-2-1-3-9-14)15-10-4-5-11-16(15)19-12-6-7-13-19/h4-5,10-11,14H,1-3,6-9,12-13H2,(H,18,20).
What are the key properties of N-cyclohexyl-2-pyrrolidin-1-ylbenzamide?
N-cyclohexyl-2-pyrrolidin-1-ylbenzamide has a molecular weight of 272.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 168514596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).