N-[4-(dimethylamino)butan-2-yl]-2-fluoro-3-(trifluoromethyl)benzamide

C14H18F4N2O — CID 71976318

IUPACN-[4-(dimethylamino)butan-2-yl]-2-fluoro-3-(trifluoromethyl)benzamide
SMILESCC(CCN(C)C)NC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C14H18F4N2O/c1-9(7-8-20(2)3)19-13(21)10-5-4-6-11(12(10)15)14(16,17)18/h4-6,9H,7-8H2,1-3H3,(H,19,21)
InChIKeyYIICIDKPQBMJDZ-UHFFFAOYSA-N
MW306.30 g/mol
LogP2.91
Rot. Bonds5

About N-[4-(dimethylamino)butan-2-yl]-2-fluoro-3-(trifluoromethyl)benzamide

N-[4-(dimethylamino)butan-2-yl]-2-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 71976318) has the molecular formula C14H18F4N2O and a molecular weight of 306.30 g/mol. Its IUPAC name is N-[4-(dimethylamino)butan-2-yl]-2-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butan-2-yl]-2-fluoro-3-(trifluoromethyl)benzamide
PubChem CID71976318
Molecular FormulaC14H18F4N2O
Molecular Weight306.30 g/mol
Exact Mass306.14
IUPAC NameN-[4-(dimethylamino)butan-2-yl]-2-fluoro-3-(trifluoromethyl)benzamide
SMILESCC(CCN(C)C)NC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C14H18F4N2O/c1-9(7-8-20(2)3)19-13(21)10-5-4-6-11(12(10)15)14(16,17)18/h4-6,9H,7-8H2,1-3H3,(H,19,21)
InChIKeyYIICIDKPQBMJDZ-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-(dimethylamino)butan-2-yl]-2-fluoro-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885795
2-fluoro-N-(4-morpholin-4-ylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 71976035
2-fluoro-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 120831181
N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide
CID 92850424
N-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)benzamide
CID 62660721
N-[1-(dimethylamino)propan-2-yl]-2-fluoro-3-methylbenzamide
CID 82946104
N-[4-(dimethylamino)butan-2-yl]-2-hydrazinylbenzamide
CID 62247539
2-amino-3-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 113331728
2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide
CID 18696136
2-fluoro-N-(1-methoxybutan-2-yl)-3-(trifluoromethyl)benzamide
CID 79885627
(4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 95359045
2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide
CID 115703490

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butan-2-yl]-2-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(dimethylamino)butan-2-yl]-2-fluoro-3-(trifluoromethyl)benzamide (CID 71976318) is N-[4-(dimethylamino)butan-2-yl]-2-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(dimethylamino)butan-2-yl]-2-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(dimethylamino)butan-2-yl]-2-fluoro-3-(trifluoromethyl)benzamide is CC(CCN(C)C)NC(=O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of N-[4-(dimethylamino)butan-2-yl]-2-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is YIICIDKPQBMJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2O/c1-9(7-8-20(2)3)19-13(21)10-5-4-6-11(12(10)15)14(16,17)18/h4-6,9H,7-8H2,1-3H3,(H,19,21).
What are the key properties of N-[4-(dimethylamino)butan-2-yl]-2-fluoro-3-(trifluoromethyl)benzamide?
N-[4-(dimethylamino)butan-2-yl]-2-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 306.30 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butan-2-yl]-2-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 71976318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).