N-[4-amino-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

C12H14F3N3O — CID 79161006

IUPACN-[4-amino-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESNc1ccc(NC(=O)N2CCCC2)cc1C(F)(F)F
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)9-7-8(3-4-10(9)16)17-11(19)18-5-1-2-6-18/h3-4,7H,1-2,5-6,16H2,(H,17,19)
InChIKeyVDRSRFREJBMTBN-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.92
Rot. Bonds1

About N-[4-amino-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

N-[4-amino-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 79161006) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is N-[4-amino-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-amino-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID79161006
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC NameN-[4-amino-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESNc1ccc(NC(=O)N2CCCC2)cc1C(F)(F)F
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)9-7-8(3-4-10(9)16)17-11(19)18-5-1-2-6-18/h3-4,7H,1-2,5-6,16H2,(H,17,19)
InChIKeyVDRSRFREJBMTBN-UHFFFAOYSA-N
XLogP2.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 47456948
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 79156712
4-(cyclopropanecarbonyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
CID 74246966
N-(3-amino-4-chlorophenyl)azepane-1-carboxamide
CID 79152618
3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 110891069
N-[4-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 16776651
1-[4-amino-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea
CID 16777157
N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 90728139
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334296
N-[4-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)phenyl]acetamide
CID 139993358
1-[4-amino-3-(trifluoromethyl)anilino]ethenol
CID 143635678
4-(pyrrolidine-1-carbonylamino)benzoic acid
CID 39732858

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (CID 79161006) is N-[4-amino-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-amino-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-amino-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is Nc1ccc(NC(=O)N2CCCC2)cc1C(F)(F)F.
What is the InChIKey of N-[4-amino-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is VDRSRFREJBMTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c13-12(14,15)9-7-8(3-4-10(9)16)17-11(19)18-5-1-2-6-18/h3-4,7H,1-2,5-6,16H2,(H,17,19).
What are the key properties of N-[4-amino-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
N-[4-amino-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 273.26 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 79161006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).