4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide

C13H16ClFN2O — CID 63299739

IUPAC4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide
SMILESCCN(C(=O)c1ccc(Cl)cc1F)C1CCNC1
InChIInChI=1S/C13H16ClFN2O/c1-2-17(10-5-6-16-8-10)13(18)11-4-3-9(14)7-12(11)15/h3-4,7,10,16H,2,5-6,8H2,1H3
InChIKeyOJIJLHQNBIYUGU-UHFFFAOYSA-N
MW270.73 g/mol
LogP2.30
Rot. Bonds3

About 4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide

4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide (PubChem CID 63299739) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is 4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide
PubChem CID63299739
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC Name4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide
SMILESCCN(C(=O)c1ccc(Cl)cc1F)C1CCNC1
InChIInChI=1S/C13H16ClFN2O/c1-2-17(10-5-6-16-8-10)13(18)11-4-3-9(14)7-12(11)15/h3-4,7,10,16H,2,5-6,8H2,1H3
InChIKeyOJIJLHQNBIYUGU-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzamide
CID 63637963
N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide
CID 62514257
4-bromo-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide
CID 54923872
2-bromo-4-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 107990350
2,4-dichloro-N-(2-ethylbutyl)-N-pyrrolidin-3-ylbenzamide
CID 11450731
2,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 11336016
N-(azetidin-3-yl)-4-chloro-N-ethyl-2,5-difluorobenzamide
CID 82771645
N-ethyl-2-methylsulfanyl-N-pyrrolidin-3-ylbenzamide
CID 79217551
2,4-dichloro-N-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide
CID 11347993
4-chloro-2-nitro-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530295
4-chloro-N-ethyl-N-piperidin-4-ylbenzamide
CID 54923441
4-chloro-N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 63299472

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide (CID 63299739) is 4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide is CCN(C(=O)c1ccc(Cl)cc1F)C1CCNC1.
What is the InChIKey of 4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide?
The InChIKey is OJIJLHQNBIYUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c1-2-17(10-5-6-16-8-10)13(18)11-4-3-9(14)7-12(11)15/h3-4,7,10,16H,2,5-6,8H2,1H3.
What are the key properties of 4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide?
4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide has a molecular weight of 270.73 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 63299739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).