4-chloro-2-pyrrolidin-1-ylbenzamide

C11H13ClN2O — CID 175755085

IUPAC4-chloro-2-pyrrolidin-1-ylbenzamide
SMILESNC(=O)c1ccc(Cl)cc1N1CCCC1
InChIInChI=1S/C11H13ClN2O/c12-8-3-4-9(11(13)15)10(7-8)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2,(H2,13,15)
InChIKeyBJRWAYSLLCXWNG-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.04
Rot. Bonds2

About 4-chloro-2-pyrrolidin-1-ylbenzamide

4-chloro-2-pyrrolidin-1-ylbenzamide (PubChem CID 175755085) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 4-chloro-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name4-chloro-2-pyrrolidin-1-ylbenzamide
PubChem CID175755085
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name4-chloro-2-pyrrolidin-1-ylbenzamide
SMILESNC(=O)c1ccc(Cl)cc1N1CCCC1
InChIInChI=1S/C11H13ClN2O/c12-8-3-4-9(11(13)15)10(7-8)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2,(H2,13,15)
InChIKeyBJRWAYSLLCXWNG-UHFFFAOYSA-N
XLogP2.04
TPSA46.33 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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(1,4-diazepan-1-yl)benzamide
CID 63082408
2-(azocan-1-yl)-4-chlorobenzenecarbothioamide
CID 63082355
5-chloro-2-pyrrolidin-1-ylbenzenecarbothioamide
CID 62494678
2-(azepan-1-yl)-5-chlorobenzenecarbothioamide
CID 62494679
2-[2-(aminomethyl)piperidin-1-yl]-4-chlorobenzamide
CID 63082965
4-chloro-2-(4-methyl-1,4-diazepan-1-yl)benzenecarbothioamide
CID 55179835
4-chloro-2-pyrrolidin-1-ylaniline
CID 58812033
4-acetamido-2-piperidin-1-ylbenzamide
CID 69312911
5-chloro-2-piperazin-1-ylbenzamide
CID 62494814
2-[2-(aminomethyl)pyrrolidin-1-yl]-4-chlorobenzamide
CID 113284607
2-(azepan-1-yl)-4-chloroaniline
CID 79688976
2-(azetidin-1-yl)-5-chlorobenzoic acid
CID 127018592

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 4-chloro-2-pyrrolidin-1-ylbenzamide (CID 175755085) is 4-chloro-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 4-chloro-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 4-chloro-2-pyrrolidin-1-ylbenzamide is NC(=O)c1ccc(Cl)cc1N1CCCC1.
What is the InChIKey of 4-chloro-2-pyrrolidin-1-ylbenzamide?
The InChIKey is BJRWAYSLLCXWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-8-3-4-9(11(13)15)10(7-8)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2,(H2,13,15).
What are the key properties of 4-chloro-2-pyrrolidin-1-ylbenzamide?
4-chloro-2-pyrrolidin-1-ylbenzamide has a molecular weight of 224.69 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 175755085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).