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

C13H15F3N2O — CID 81168565

IUPAC1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(N)CCC2)cc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O/c1-8-3-4-9(7-10(8)13(14,15)16)18-11(19)12(17)5-2-6-12/h3-4,7H,2,5-6,17H2,1H3,(H,18,19)
InChIKeyZQZJLHIGKVTOTB-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.83
Rot. Bonds2

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

1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide (PubChem CID 81168565) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
PubChem CID81168565
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(N)CCC2)cc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O/c1-8-3-4-9(7-10(8)13(14,15)16)18-11(19)12(17)5-2-6-12/h3-4,7H,2,5-6,17H2,1H3,(H,18,19)
InChIKeyZQZJLHIGKVTOTB-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 80587920
1-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119281826
1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119697626
1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide
CID 60853897
1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide
CID 60867567
1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 65465257
[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 60704273
1-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide
CID 119329926
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 115294569
1-methyl-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 115575822
1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide
CID 54925430
1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclobutane-1-carboxamide
CID 81171897

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide (CID 81168565) is 1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide is Cc1ccc(NC(=O)C2(N)CCC2)cc1C(F)(F)F.
What is the InChIKey of 1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide?
The InChIKey is ZQZJLHIGKVTOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-8-3-4-9(7-10(8)13(14,15)16)18-11(19)12(17)5-2-6-12/h3-4,7H,2,5-6,17H2,1H3,(H,18,19).
What are the key properties of 1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide?
1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide has a molecular weight of 272.27 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81168565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).