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

C14H19ClN2O — CID 106609046

IUPAC3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCN(CC1CCCN1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O/c1-2-17(10-13-7-4-8-16-13)14(18)11-5-3-6-12(15)9-11/h3,5-6,9,13,16H,2,4,7-8,10H2,1H3
InChIKeyCVOJQGUAVDIKMH-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.55
Rot. Bonds4

About 3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide

3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106609046) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106609046
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCN(CC1CCCN1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O/c1-2-17(10-13-7-4-8-16-13)14(18)11-5-3-6-12(15)9-11/h3,5-6,9,13,16H,2,4,7-8,10H2,1H3
InChIKeyCVOJQGUAVDIKMH-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-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612004
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166
N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609422
N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609417
2-chloro-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609343
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610518
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
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-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609221

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106609046) is 3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide is CCN(CC1CCCN1)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is CVOJQGUAVDIKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-2-17(10-13-7-4-8-16-13)14(18)11-5-3-6-12(15)9-11/h3,5-6,9,13,16H,2,4,7-8,10H2,1H3.
What are the key properties of 3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
3-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 3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106609046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).