1-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide

C13H12F3N3O — CID 81179376

IUPAC1-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
SMILESN#Cc1ccc(NC(=O)C2(N)CCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)9-6-8(7-17)2-3-10(9)19-11(20)12(18)4-1-5-12/h2-3,6H,1,4-5,18H2,(H,19,20)
InChIKeyIUJWYFIRIXOSBQ-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.40
Rot. Bonds2

About 1-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide

1-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide (PubChem CID 81179376) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
PubChem CID81179376
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name1-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
SMILESN#Cc1ccc(NC(=O)C2(N)CCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)9-6-8(7-17)2-3-10(9)19-11(20)12(18)4-1-5-12/h2-3,6H,1,4-5,18H2,(H,19,20)
InChIKeyIUJWYFIRIXOSBQ-UHFFFAOYSA-N
XLogP2.40
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 60866502
1-amino-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81167254
1-amino-N-(3-cyanophenyl)cyclobutane-1-carboxamide
CID 81179740
N-[4-cyano-2-(trifluoromethyl)phenyl]propanamide
CID 60705592
ethyl N-[4-cyano-2-(trifluoromethyl)phenyl]carbamate
CID 64591088
4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]butanamide
CID 43703864
2-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 76888025
N-[4-cyano-2-(trifluoromethyl)phenyl]formamide
CID 64992328
4-amino-N-(2-chloro-4-cyanophenyl)oxane-4-carboxamide
CID 107808130
N-[4-cyano-2-(trifluoromethyl)phenyl]-2-(methylamino)propanamide
CID 62637842
2-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788040
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-[4-cyano-2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide (CID 81179376) is 1-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide is N#Cc1ccc(NC(=O)C2(N)CCC2)c(C(F)(F)F)c1.
What is the InChIKey of 1-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide?
The InChIKey is IUJWYFIRIXOSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c14-13(15,16)9-6-8(7-17)2-3-10(9)19-11(20)12(18)4-1-5-12/h2-3,6H,1,4-5,18H2,(H,19,20).
What are the key properties of 1-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide?
1-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide has a molecular weight of 283.25 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81179376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).