4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide

C14H19ClN2O — CID 47187389

IUPAC4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C14H19ClN2O/c1-11(17-8-2-3-9-17)10-16-14(18)12-4-6-13(15)7-5-12/h4-7,11H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyOAPUYOYHVJTURL-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.55
Rot. Bonds4

About 4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide

4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 47187389) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide
PubChem CID47187389
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C14H19ClN2O/c1-11(17-8-2-3-9-17)10-16-14(18)12-4-6-13(15)7-5-12/h4-7,11H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyOAPUYOYHVJTURL-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157618
4-phenyl-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157619
4-cyano-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47026894
5-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031099
4-bromo-3-chloro-N-(2-piperidin-1-ylpropyl)benzamide
CID 80973531
N-(2-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide
CID 110301675
4-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031098
4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 95860893
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 40782504
3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylpropyl)propanamide
CID 110301735
N-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide
CID 93157610
3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 51710424

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide (CID 47187389) is 4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide is CC(CNC(=O)c1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of 4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is OAPUYOYHVJTURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-11(17-8-2-3-9-17)10-16-14(18)12-4-6-13(15)7-5-12/h4-7,11H,2-3,8-10H2,1H3,(H,16,18).
What are the key properties of 4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide?
4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 266.77 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 47187389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).