N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide

C14H18F2N2O — CID 47007650

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide
SMILESCCN1CCCC1CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H18F2N2O/c1-2-18-7-3-4-11(18)9-17-14(19)12-6-5-10(15)8-13(12)16/h5-6,8,11H,2-4,7,9H2,1H3,(H,17,19)
InChIKeyNGGZYZIOKXAROH-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.18
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide (PubChem CID 47007650) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide
PubChem CID47007650
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide
SMILESCCN1CCCC1CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H18F2N2O/c1-2-18-7-3-4-11(18)9-17-14(19)12-6-5-10(15)8-13(12)16/h5-6,8,11H,2-4,7,9H2,1H3,(H,17,19)
InChIKeyNGGZYZIOKXAROH-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluoro-6-hydroxybenzamide
CID 47465818
2-(2,4-difluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-oxoisoquinoline-4-carboxamide
CID 4625886
2-[(3-bromobenzoyl)amino]-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluorobenzamide
CID 112823876
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107021319
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide
CID 107358520
(2S,4S)-9-(2,4-difluorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 123294108
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 71304903
5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 827298
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-3-methylsulfonylbenzamide;hydrochloride
CID 129051547
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 71899768

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide (CID 47007650) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide is CCN1CCCC1CNC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide?
The InChIKey is NGGZYZIOKXAROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-2-18-7-3-4-11(18)9-17-14(19)12-6-5-10(15)8-13(12)16/h5-6,8,11H,2-4,7,9H2,1H3,(H,17,19).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide has a molecular weight of 268.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide is sourced from PubChem (CID 47007650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).