4-(azetidin-3-ylamino)-2-(trifluoromethyl)benzamide

C11H12F3N3O — CID 66187502

IUPAC4-(azetidin-3-ylamino)-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(NC2CNC2)cc1C(F)(F)F
InChIInChI=1S/C11H12F3N3O/c12-11(13,14)9-3-6(17-7-4-16-5-7)1-2-8(9)10(15)18/h1-3,7,16-17H,4-5H2,(H2,15,18)
InChIKeyLATRTIJGXHXUKY-UHFFFAOYSA-N
MW259.23 g/mol
LogP1.19
Rot. Bonds3

About 4-(azetidin-3-ylamino)-2-(trifluoromethyl)benzamide

4-(azetidin-3-ylamino)-2-(trifluoromethyl)benzamide (PubChem CID 66187502) has the molecular formula C11H12F3N3O and a molecular weight of 259.23 g/mol. Its IUPAC name is 4-(azetidin-3-ylamino)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(azetidin-3-ylamino)-2-(trifluoromethyl)benzamide
PubChem CID66187502
Molecular FormulaC11H12F3N3O
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC Name4-(azetidin-3-ylamino)-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(NC2CNC2)cc1C(F)(F)F
InChIInChI=1S/C11H12F3N3O/c12-11(13,14)9-3-6(17-7-4-16-5-7)1-2-8(9)10(15)18/h1-3,7,16-17H,4-5H2,(H2,15,18)
InChIKeyLATRTIJGXHXUKY-UHFFFAOYSA-N
XLogP1.19
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azetidin-3-ylamino)-2-methylbenzamide
CID 81279115
4-[(4-methylpiperidin-4-yl)amino]-2-(trifluoromethyl)benzamide
CID 114697394
4-(cyclohexylamino)-2-(trifluoromethyl)benzoic acid
CID 62711963
2-[4-carbamoyl-3-(trifluoromethyl)anilino]acetic acid
CID 43320600
4-[(1-aminocyclobutyl)methylamino]-2-(trifluoromethyl)benzamide
CID 103354013
4-(azetidin-3-ylamino)-2-fluoro-N,N-dimethylbenzamide
CID 166030505
4-(piperidin-4-ylmethyl)-2-(trifluoromethyl)benzamide
CID 175939271
4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-2-chlorobenzamide
CID 55152995
4-[(2-methylcyclopropyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 62410133
4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride
CID 22563807
4-[[2-methyl-3-(methylamino)propyl]amino]-2-(trifluoromethyl)benzamide
CID 115302961
4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)benzamide
CID 43138481

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylamino)-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-(azetidin-3-ylamino)-2-(trifluoromethyl)benzamide (CID 66187502) is 4-(azetidin-3-ylamino)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(azetidin-3-ylamino)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(azetidin-3-ylamino)-2-(trifluoromethyl)benzamide is NC(=O)c1ccc(NC2CNC2)cc1C(F)(F)F.
What is the InChIKey of 4-(azetidin-3-ylamino)-2-(trifluoromethyl)benzamide?
The InChIKey is LATRTIJGXHXUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O/c12-11(13,14)9-3-6(17-7-4-16-5-7)1-2-8(9)10(15)18/h1-3,7,16-17H,4-5H2,(H2,15,18).
What are the key properties of 4-(azetidin-3-ylamino)-2-(trifluoromethyl)benzamide?
4-(azetidin-3-ylamino)-2-(trifluoromethyl)benzamide has a molecular weight of 259.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylamino)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 66187502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).