1-amino-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide

C12H13F3N2O — CID 81167254

IUPAC1-amino-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)Nc2ccccc2C(F)(F)F)CCC1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)8-4-1-2-5-9(8)17-10(18)11(16)6-3-7-11/h1-2,4-5H,3,6-7,16H2,(H,17,18)
InChIKeyXODHWAZCLPHTAM-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.53
Rot. Bonds2

About 1-amino-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide

1-amino-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide (PubChem CID 81167254) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 1-amino-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
PubChem CID81167254
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name1-amino-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)Nc2ccccc2C(F)(F)F)CCC1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)8-4-1-2-5-9(8)17-10(18)11(16)6-3-7-11/h1-2,4-5H,3,6-7,16H2,(H,17,18)
InChIKeyXODHWAZCLPHTAM-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 115293483
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CID 81169624
1-carbamothioyl-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 80592381
1-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 60866502
1-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81179376
1-amino-N-(2-tert-butylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119399892
1-[(E)-N'-hydroxycarbamimidoyl]-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 80590517
1-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide
CID 60866344
2-[2-[(1-aminocyclopentanecarbonyl)amino]phenyl]acetic acid
CID 62534206
1-amino-N-[2-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 43710737
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81168565

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide (CID 81167254) is 1-amino-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide is NC1(C(=O)Nc2ccccc2C(F)(F)F)CCC1.
What is the InChIKey of 1-amino-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide?
The InChIKey is XODHWAZCLPHTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-12(14,15)8-4-1-2-5-9(8)17-10(18)11(16)6-3-7-11/h1-2,4-5H,3,6-7,16H2,(H,17,18).
What are the key properties of 1-amino-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide?
1-amino-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide has a molecular weight of 258.24 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81167254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).