N-(2,6-dichloro-4-fluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H10Cl2F4N2O — CID 83078951

IUPACN-(2,6-dichloro-4-fluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Cl)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H10Cl2F4N2O/c13-7-3-6(15)4-8(14)9(7)20-10(21)11(12(16,17)18)1-2-19-5-11/h3-4,19H,1-2,5H2,(H,20,21)
InChIKeyWPSPVUVSXPWQQY-UHFFFAOYSA-N
MW345.12 g/mol
LogP3.61
Rot. Bonds2

About N-(2,6-dichloro-4-fluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(2,6-dichloro-4-fluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 83078951) has the molecular formula C12H10Cl2F4N2O and a molecular weight of 345.12 g/mol. Its IUPAC name is N-(2,6-dichloro-4-fluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichloro-4-fluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID83078951
Molecular FormulaC12H10Cl2F4N2O
Molecular Weight345.12 g/mol
Exact Mass344.01
IUPAC NameN-(2,6-dichloro-4-fluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Cl)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H10Cl2F4N2O/c13-7-3-6(15)4-8(14)9(7)20-10(21)11(12(16,17)18)1-2-19-5-11/h3-4,19H,1-2,5H2,(H,20,21)
InChIKeyWPSPVUVSXPWQQY-UHFFFAOYSA-N
XLogP3.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.12
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluoro-5-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79049706
N-(2,5-dichloro-4-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 104727096
3-(trifluoromethyl)-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 63719915
N-(2,6-difluoro-3-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 82801087
N-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710418
N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709325
N-(4-fluoro-3-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63720093
N-(2,3-difluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710231
N-(2-chloro-4,6-difluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 83088271
1-amino-N-(2,6-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 83079201
3-(trifluoromethyl)pyrrolidine-3-carbohydrazide
CID 63992790
2-(4-chloro-3-fluorophenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
CID 107890031

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 83078951) is N-(2,6-dichloro-4-fluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,6-dichloro-4-fluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,6-dichloro-4-fluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(Nc1c(Cl)cc(F)cc1Cl)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(2,6-dichloro-4-fluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is WPSPVUVSXPWQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2F4N2O/c13-7-3-6(15)4-8(14)9(7)20-10(21)11(12(16,17)18)1-2-19-5-11/h3-4,19H,1-2,5H2,(H,20,21).
What are the key properties of N-(2,6-dichloro-4-fluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2,6-dichloro-4-fluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 345.12 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-fluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 83078951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).