4-[(1-aminocyclobutyl)methylamino]-2-(trifluoromethyl)benzamide

C13H16F3N3O — CID 103354013

IUPAC4-[(1-aminocyclobutyl)methylamino]-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(NCC2(N)CCC2)cc1C(F)(F)F
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)10-6-8(2-3-9(10)11(17)20)19-7-12(18)4-1-5-12/h2-3,6,19H,1,4-5,7,18H2,(H2,17,20)
InChIKeyZDJDUIUEOOQUBT-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.10
Rot. Bonds4

About 4-[(1-aminocyclobutyl)methylamino]-2-(trifluoromethyl)benzamide

4-[(1-aminocyclobutyl)methylamino]-2-(trifluoromethyl)benzamide (PubChem CID 103354013) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is 4-[(1-aminocyclobutyl)methylamino]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-[(1-aminocyclobutyl)methylamino]-2-(trifluoromethyl)benzamide
PubChem CID103354013
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name4-[(1-aminocyclobutyl)methylamino]-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(NCC2(N)CCC2)cc1C(F)(F)F
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)10-6-8(2-3-9(10)11(17)20)19-7-12(18)4-1-5-12/h2-3,6,19H,1,4-5,7,18H2,(H2,17,20)
InChIKeyZDJDUIUEOOQUBT-UHFFFAOYSA-N
XLogP2.10
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-carbamoyl-3-(trifluoromethyl)anilino]acetic acid
CID 43320600
4-(azetidin-3-ylamino)-2-(trifluoromethyl)benzamide
CID 66187502
4-[[2-methyl-3-(methylamino)propyl]amino]-2-(trifluoromethyl)benzamide
CID 115302961
4-[(4-methylpiperidin-4-yl)amino]-2-(trifluoromethyl)benzamide
CID 114697394
4-(2,2,2-trifluoroethylamino)-2-(trifluoromethyl)benzoic acid
CID 62709766
4-(cyclopropylmethyl)-2-(trifluoromethyl)benzamide
CID 165345913
6-[(1-aminocyclobutyl)methylamino]pyridazine-3-carboxamide
CID 103354254
4-(cyclohexylmethylamino)-2-(trifluoromethyl)benzoic acid
CID 62709782
4-[(2-methylcyclopentyl)methylamino]-2-(trifluoromethyl)benzoic acid
CID 107420706
4-(1-aminohexan-2-ylamino)-2-(trifluoromethyl)benzamide
CID 80698083
[1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol
CID 103965395
1-[(4-carbamoyl-3-methylanilino)methyl]cyclopentane-1-carboxylic acid
CID 115433360

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclobutyl)methylamino]-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-[(1-aminocyclobutyl)methylamino]-2-(trifluoromethyl)benzamide (CID 103354013) is 4-[(1-aminocyclobutyl)methylamino]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-[(1-aminocyclobutyl)methylamino]-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-[(1-aminocyclobutyl)methylamino]-2-(trifluoromethyl)benzamide is NC(=O)c1ccc(NCC2(N)CCC2)cc1C(F)(F)F.
What is the InChIKey of 4-[(1-aminocyclobutyl)methylamino]-2-(trifluoromethyl)benzamide?
The InChIKey is ZDJDUIUEOOQUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c14-13(15,16)10-6-8(2-3-9(10)11(17)20)19-7-12(18)4-1-5-12/h2-3,6,19H,1,4-5,7,18H2,(H2,17,20).
What are the key properties of 4-[(1-aminocyclobutyl)methylamino]-2-(trifluoromethyl)benzamide?
4-[(1-aminocyclobutyl)methylamino]-2-(trifluoromethyl)benzamide has a molecular weight of 287.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclobutyl)methylamino]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 103354013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).