N-(3-bromopropyl)-2-fluoro-N-propan-2-yl-3-(trifluoromethyl)benzamide

C14H16BrF4NO — CID 80656669

IUPACN-(3-bromopropyl)-2-fluoro-N-propan-2-yl-3-(trifluoromethyl)benzamide
SMILESCC(C)N(CCCBr)C(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C14H16BrF4NO/c1-9(2)20(8-4-7-15)13(21)10-5-3-6-11(12(10)16)14(17,18)19/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyLQMFMFFWPFXRGC-UHFFFAOYSA-N
MW370.18 g/mol
LogP4.48
Rot. Bonds5

About N-(3-bromopropyl)-2-fluoro-N-propan-2-yl-3-(trifluoromethyl)benzamide

N-(3-bromopropyl)-2-fluoro-N-propan-2-yl-3-(trifluoromethyl)benzamide (PubChem CID 80656669) has the molecular formula C14H16BrF4NO and a molecular weight of 370.18 g/mol. Its IUPAC name is N-(3-bromopropyl)-2-fluoro-N-propan-2-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-2-fluoro-N-propan-2-yl-3-(trifluoromethyl)benzamide
PubChem CID80656669
Molecular FormulaC14H16BrF4NO
Molecular Weight370.18 g/mol
Exact Mass369.04
IUPAC NameN-(3-bromopropyl)-2-fluoro-N-propan-2-yl-3-(trifluoromethyl)benzamide
SMILESCC(C)N(CCCBr)C(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C14H16BrF4NO/c1-9(2)20(8-4-7-15)13(21)10-5-3-6-11(12(10)16)14(17,18)19/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyLQMFMFFWPFXRGC-UHFFFAOYSA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.18
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3-bromopropyl)-2-fluoro-N-propan-2-yl-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

4-bromo-N-(3-bromopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
CID 107333532
N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
CID 43136696
2-bromo-N-(3-bromopropyl)-3-methyl-N-propan-2-ylbenzamide
CID 107983921
N-(3-bromopropyl)-N-propan-2-ylquinoline-8-carboxamide
CID 80662580
N-(3-bromopropyl)-3-fluoro-N-propan-2-ylbenzamide
CID 80661580
3-[propan-2-yl-[2-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 60830546
2-fluoro-N-pentyl-3-(trifluoromethyl)-N-undecylbenzamide
CID 91731414
2-fluoro-N-heptyl-N-pentyl-3-(trifluoromethyl)benzamide
CID 91731393
N-(1-aminopropan-2-yl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 112701403
N-(3-bromopropyl)-2-nitro-N-propan-2-ylbenzamide
CID 80662381
N-(4-bromo-2,2-dimethylbutyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 106143455
N-[4-(dimethylamino)butan-2-yl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 71976318

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-2-fluoro-N-propan-2-yl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-bromopropyl)-2-fluoro-N-propan-2-yl-3-(trifluoromethyl)benzamide (CID 80656669) is N-(3-bromopropyl)-2-fluoro-N-propan-2-yl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-bromopropyl)-2-fluoro-N-propan-2-yl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-bromopropyl)-2-fluoro-N-propan-2-yl-3-(trifluoromethyl)benzamide is CC(C)N(CCCBr)C(=O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of N-(3-bromopropyl)-2-fluoro-N-propan-2-yl-3-(trifluoromethyl)benzamide?
The InChIKey is LQMFMFFWPFXRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF4NO/c1-9(2)20(8-4-7-15)13(21)10-5-3-6-11(12(10)16)14(17,18)19/h3,5-6,9H,4,7-8H2,1-2H3.
What are the key properties of N-(3-bromopropyl)-2-fluoro-N-propan-2-yl-3-(trifluoromethyl)benzamide?
N-(3-bromopropyl)-2-fluoro-N-propan-2-yl-3-(trifluoromethyl)benzamide has a molecular weight of 370.18 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-2-fluoro-N-propan-2-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 80656669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).