5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide

C14H18ClFN2O — CID 47136529

IUPAC5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
SMILESCCN1CCCC1CNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C14H18ClFN2O/c1-2-18-7-3-4-11(18)9-17-14(19)12-8-10(15)5-6-13(12)16/h5-6,8,11H,2-4,7,9H2,1H3,(H,17,19)
InChIKeyMCSGUTQRSXFSNK-UHFFFAOYSA-N
MW284.76 g/mol
LogP2.69
Rot. Bonds4

About 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide

5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide (PubChem CID 47136529) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
PubChem CID47136529
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
SMILESCCN1CCCC1CNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C14H18ClFN2O/c1-2-18-7-3-4-11(18)9-17-14(19)12-8-10(15)5-6-13(12)16/h5-6,8,11H,2-4,7,9H2,1H3,(H,17,19)
InChIKeyMCSGUTQRSXFSNK-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide
CID 47007650
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107021319
3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 15167696
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 141109799
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-fluoro-2-hydroxy-6-methoxybenzamide
CID 13493798
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-3-methylsulfonylbenzamide;hydrochloride
CID 129051547
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide
CID 107358520
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluoro-6-hydroxybenzamide
CID 47465818
N-[(5-chloro-2-fluorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 115761462
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
8-chloro-6-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide
CID 122174883

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide (CID 47136529) is 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide is CCN1CCCC1CNC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide?
The InChIKey is MCSGUTQRSXFSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c1-2-18-7-3-4-11(18)9-17-14(19)12-8-10(15)5-6-13(12)16/h5-6,8,11H,2-4,7,9H2,1H3,(H,17,19).
What are the key properties of 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide?
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide has a molecular weight of 284.76 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 47136529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).