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

C11H12F3N3O — CID 63767129

IUPAC3-amino-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide
SMILESNC1CN(C(=O)Nc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C11H12F3N3O/c12-11(13,14)8-3-1-2-4-9(8)16-10(18)17-5-7(15)6-17/h1-4,7H,5-6,15H2,(H,16,18)
InChIKeyRTHMBEFGUUKDLD-UHFFFAOYSA-N
MW259.23 g/mol
LogP1.88
Rot. Bonds1

About 3-amino-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide

3-amino-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide (PubChem CID 63767129) has the molecular formula C11H12F3N3O and a molecular weight of 259.23 g/mol. Its IUPAC name is 3-amino-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide
PubChem CID63767129
Molecular FormulaC11H12F3N3O
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC Name3-amino-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide
SMILESNC1CN(C(=O)Nc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C11H12F3N3O/c12-11(13,14)8-3-1-2-4-9(8)16-10(18)17-5-7(15)6-17/h1-4,7H,5-6,15H2,(H,16,18)
InChIKeyRTHMBEFGUUKDLD-UHFFFAOYSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972
(3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 51895142
3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 103896300
4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 3857364
3-(cyclopropylmethoxy)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 121197684
N-[2-(trifluoromethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 970571
4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121165130
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
3-methyl-4-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17381843
(4aS,8aS)-N-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide
CID 124573188
4-thiomorpholin-4-yl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 72886540
4-benzhydryl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2212510

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide (CID 63767129) is 3-amino-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide is NC1CN(C(=O)Nc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 3-amino-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
The InChIKey is RTHMBEFGUUKDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O/c12-11(13,14)8-3-1-2-4-9(8)16-10(18)17-5-7(15)6-17/h1-4,7H,5-6,15H2,(H,16,18).
What are the key properties of 3-amino-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
3-amino-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide has a molecular weight of 259.23 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide is sourced from PubChem (CID 63767129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).