3-chloro-N-pyrrolidin-1-ylbenzamide

C11H13ClN2O — CID 54164805

IUPAC3-chloro-N-pyrrolidin-1-ylbenzamide
SMILESO=C(NN1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClN2O/c12-10-5-3-4-9(8-10)11(15)13-14-6-1-2-7-14/h3-5,8H,1-2,6-7H2,(H,13,15)
InChIKeyOQWSNDNOISIDHC-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.08
Rot. Bonds2

About 3-chloro-N-pyrrolidin-1-ylbenzamide

3-chloro-N-pyrrolidin-1-ylbenzamide (PubChem CID 54164805) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 3-chloro-N-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name3-chloro-N-pyrrolidin-1-ylbenzamide
PubChem CID54164805
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name3-chloro-N-pyrrolidin-1-ylbenzamide
SMILESO=C(NN1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClN2O/c12-10-5-3-4-9(8-10)11(15)13-14-6-1-2-7-14/h3-5,8H,1-2,6-7H2,(H,13,15)
InChIKeyOQWSNDNOISIDHC-UHFFFAOYSA-N
XLogP2.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(E)-N'-hydroxycarbamimidoyl]-N-piperidin-1-ylbenzamide
CID 83023360
N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 7742373
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3384883
3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17172890
N-piperidin-1-yl-3H-benzimidazole-5-carboxamide
CID 69436503
2,6-dichloro-N-piperidin-1-ylpyridine-4-carboxamide
CID 2781660
3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2970403
3-chloro-N-propan-2-ylbenzamide
CID 669184
3-chloro-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide
CID 59643744
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-chlorobenzamide
CID 94121435
N-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide
CID 110346034

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-pyrrolidin-1-ylbenzamide?
The IUPAC name of 3-chloro-N-pyrrolidin-1-ylbenzamide (CID 54164805) is 3-chloro-N-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 3-chloro-N-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 3-chloro-N-pyrrolidin-1-ylbenzamide is O=C(NN1CCCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-pyrrolidin-1-ylbenzamide?
The InChIKey is OQWSNDNOISIDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-10-5-3-4-9(8-10)11(15)13-14-6-1-2-7-14/h3-5,8H,1-2,6-7H2,(H,13,15).
What are the key properties of 3-chloro-N-pyrrolidin-1-ylbenzamide?
3-chloro-N-pyrrolidin-1-ylbenzamide has a molecular weight of 224.69 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 54164805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).