N-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide

C13H16F2N2O — CID 63143656

IUPACN-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cccc(F)c2F)CCNC1
InChIInChI=1S/C13H16F2N2O/c1-2-13(6-7-16-8-13)12(18)17-10-5-3-4-9(14)11(10)15/h3-5,16H,2,6-8H2,1H3,(H,17,18)
InChIKeyMHZSJCOHNGDOIQ-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.29
Rot. Bonds3

About N-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide

N-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide (PubChem CID 63143656) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide
PubChem CID63143656
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC NameN-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cccc(F)c2F)CCNC1
InChIInChI=1S/C13H16F2N2O/c1-2-13(6-7-16-8-13)12(18)17-10-5-3-4-9(14)11(10)15/h3-5,16H,2,6-8H2,1H3,(H,17,18)
InChIKeyMHZSJCOHNGDOIQ-UHFFFAOYSA-N
XLogP2.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyano-3-fluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63138813
N-(2,3-difluorophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120620409
N-(2,3-difluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710231
3-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-3-carboxamide
CID 63138345
2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 63142475
4-[(3-ethylpyrrolidine-3-carbonyl)amino]-3-fluorobenzoic acid
CID 63187702
N-(2-cyano-3-fluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 63128180
2-chloro-6-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63722427
N-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071591
N-(4-bromo-2,5-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 107611749
N-(2,4-difluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132090
N-(2,3-dichlorophenyl)-3-ethylpiperidine-3-carboxamide
CID 55179344

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide (CID 63143656) is N-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide is CCC1(C(=O)Nc2cccc(F)c2F)CCNC1.
What is the InChIKey of N-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is MHZSJCOHNGDOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-2-13(6-7-16-8-13)12(18)17-10-5-3-4-9(14)11(10)15/h3-5,16H,2,6-8H2,1H3,(H,17,18).
What are the key properties of N-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide?
N-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 254.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63143656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).