N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide

C13H14F4N2O — CID 143615163

IUPACN-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1F)N1CCCC1
InChIInChI=1S/C13H14F4N2O/c14-11-7-10(13(15,16)17)4-3-9(11)8-18-12(20)19-5-1-2-6-19/h3-4,7H,1-2,5-6,8H2,(H,18,20)
InChIKeyUMKLDNCPCPFQFX-UHFFFAOYSA-N
MW290.26 g/mol
LogP3.15
Rot. Bonds2

About N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide

N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 143615163) has the molecular formula C13H14F4N2O and a molecular weight of 290.26 g/mol. Its IUPAC name is N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
PubChem CID143615163
Molecular FormulaC13H14F4N2O
Molecular Weight290.26 g/mol
Exact Mass290.10
IUPAC NameN-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1F)N1CCCC1
InChIInChI=1S/C13H14F4N2O/c14-11-7-10(13(15,16)17)4-3-9(11)8-18-12(20)19-5-1-2-6-19/h3-4,7H,1-2,5-6,8H2,(H,18,20)
InChIKeyUMKLDNCPCPFQFX-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxyazetidine-1-carboxamide
CID 119072217
N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide
CID 115598132
3-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide
CID 70731830
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-1-carboxamide
CID 79155872
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 119070491
N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 108897499
N-[(2-fluorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113107500
1-[2-(azepan-1-yl)ethyl]-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methylurea;formic acid
CID 154904433
N-cyclopropylacetamide;N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide
CID 170731606
N-[(2,4-difluorophenyl)methyl]-3-methyl-3,9-diazaspiro[5.6]dodecane-9-carboxamide
CID 119065239
1-(3,5-dimethylphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea
CID 3687858
1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-pentylurea
CID 3790964

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide (CID 143615163) is N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide is O=C(NCc1ccc(C(F)(F)F)cc1F)N1CCCC1.
What is the InChIKey of N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is UMKLDNCPCPFQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2O/c14-11-7-10(13(15,16)17)4-3-9(11)8-18-12(20)19-5-1-2-6-19/h3-4,7H,1-2,5-6,8H2,(H,18,20).
What are the key properties of N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 290.26 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 143615163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).