4-amino-N-hexan-2-yl-3-(trifluoromethyl)benzamide

C14H19F3N2O — CID 62199911

IUPAC4-amino-N-hexan-2-yl-3-(trifluoromethyl)benzamide
SMILESCCCCC(C)NC(=O)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-3-4-5-9(2)19-13(20)10-6-7-12(18)11(8-10)14(15,16)17/h6-9H,3-5,18H2,1-2H3,(H,19,20)
InChIKeyKMLUHYYDAKWTHL-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.60
Rot. Bonds5

About 4-amino-N-hexan-2-yl-3-(trifluoromethyl)benzamide

4-amino-N-hexan-2-yl-3-(trifluoromethyl)benzamide (PubChem CID 62199911) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-amino-N-hexan-2-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-hexan-2-yl-3-(trifluoromethyl)benzamide
PubChem CID62199911
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name4-amino-N-hexan-2-yl-3-(trifluoromethyl)benzamide
SMILESCCCCC(C)NC(=O)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-3-4-5-9(2)19-13(20)10-6-7-12(18)11(8-10)14(15,16)17/h6-9H,3-5,18H2,1-2H3,(H,19,20)
InChIKeyKMLUHYYDAKWTHL-UHFFFAOYSA-N
XLogP3.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide
CID 62155637
4-amino-N-(4-methylpentyl)-3-(trifluoromethyl)benzamide
CID 63004218
4-amino-N-methyl-3-(trifluoromethyl)benzamide
CID 62156394
N-[(2S)-2-methylhexyl]-3,4-bis(trifluoromethyl)benzamide
CID 122549176
4-fluoro-N-hexan-2-ylbenzamide
CID 62199480
4-amino-N-methyl-N-pentan-2-yl-3-(trifluoromethyl)benzamide
CID 62154997
4-bromo-N-(4-bromobutan-2-yl)-3-(trifluoromethyl)benzamide
CID 83180672
2-amino-N-hexan-2-ylpyridine-4-carboxamide
CID 62201408
4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide
CID 83176506
N-hexan-2-yl-4-hydrazinyl-3-methylbenzamide
CID 63211510
4-amino-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
CID 62153422
3-amino-4-ethoxy-N-octan-2-ylbenzamide
CID 61476185

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-hexan-2-yl-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-amino-N-hexan-2-yl-3-(trifluoromethyl)benzamide (CID 62199911) is 4-amino-N-hexan-2-yl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-amino-N-hexan-2-yl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-amino-N-hexan-2-yl-3-(trifluoromethyl)benzamide is CCCCC(C)NC(=O)c1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 4-amino-N-hexan-2-yl-3-(trifluoromethyl)benzamide?
The InChIKey is KMLUHYYDAKWTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-3-4-5-9(2)19-13(20)10-6-7-12(18)11(8-10)14(15,16)17/h6-9H,3-5,18H2,1-2H3,(H,19,20).
What are the key properties of 4-amino-N-hexan-2-yl-3-(trifluoromethyl)benzamide?
4-amino-N-hexan-2-yl-3-(trifluoromethyl)benzamide has a molecular weight of 288.31 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-hexan-2-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62199911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).