4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide

C14H19ClN2O — CID 106609166

IUPAC4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCN(CC1CCCN1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-2-17(10-13-4-3-9-16-13)14(18)11-5-7-12(15)8-6-11/h5-8,13,16H,2-4,9-10H2,1H3
InChIKeyJDLBZVPBIAXLGB-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.55
Rot. Bonds4

About 4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide

4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106609166) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106609166
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCN(CC1CCCN1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-2-17(10-13-4-3-9-16-13)14(18)11-5-7-12(15)8-6-11/h5-8,13,16H,2-4,9-10H2,1H3
InChIKeyJDLBZVPBIAXLGB-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

N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609417
N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609422
3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609046
4-tert-butyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609044
4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609443
5-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106609136
5-chloro-N-ethyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609149
N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 106609254
2-chloro-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609343
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610422
5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609221
4,5-dichloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 106608927

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106609166) is 4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide is CCN(CC1CCCN1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is JDLBZVPBIAXLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-2-17(10-13-4-3-9-16-13)14(18)11-5-7-12(15)8-6-11/h5-8,13,16H,2-4,9-10H2,1H3.
What are the key properties of 4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)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-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106609166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).