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

C13H15F3N2O — CID 81169624

IUPAC1-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)NCc2ccccc2C(F)(F)F)CCC1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)10-5-2-1-4-9(10)8-18-11(19)12(17)6-3-7-12/h1-2,4-5H,3,6-8,17H2,(H,18,19)
InChIKeyKUCGJUDYDRJNFI-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.20
Rot. Bonds3

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

1-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide (PubChem CID 81169624) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 1-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
PubChem CID81169624
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name1-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)NCc2ccccc2C(F)(F)F)CCC1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)10-5-2-1-4-9(10)8-18-11(19)12(17)6-3-7-12/h1-2,4-5H,3,6-8,17H2,(H,18,19)
InChIKeyKUCGJUDYDRJNFI-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81167254
1-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 3527303
1-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119275621
1-amino-N-[(2-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119331950
3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119944209
1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270631
2-chloro-N-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]acetamide
CID 62880642
1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 81171767
1-amino-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]cyclohexane-1-carboxamide
CID 119320389
4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119705514
2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879781
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 57455734

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide (CID 81169624) is 1-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide is NC1(C(=O)NCc2ccccc2C(F)(F)F)CCC1.
What is the InChIKey of 1-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide?
The InChIKey is KUCGJUDYDRJNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-13(15,16)10-5-2-1-4-9(10)8-18-11(19)12(17)6-3-7-12/h1-2,4-5H,3,6-8,17H2,(H,18,19).
What are the key properties of 1-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide?
1-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide has a molecular weight of 272.27 g/mol, XLogP of 2.20, 3 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]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81169624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).