4-bromo-N-(3-bromopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide

C14H16Br2F3NO — CID 107333532

IUPAC4-bromo-N-(3-bromopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
SMILESCC(C)N(CCCBr)C(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H16Br2F3NO/c1-9(2)20(7-3-6-15)13(21)11-5-4-10(16)8-12(11)14(17,18)19/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyMJBYGIXVFWBGCZ-UHFFFAOYSA-N
MW431.09 g/mol
LogP5.10
Rot. Bonds5

About 4-bromo-N-(3-bromopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide

4-bromo-N-(3-bromopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide (PubChem CID 107333532) has the molecular formula C14H16Br2F3NO and a molecular weight of 431.09 g/mol. Its IUPAC name is 4-bromo-N-(3-bromopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(3-bromopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
PubChem CID107333532
Molecular FormulaC14H16Br2F3NO
Molecular Weight431.09 g/mol
Exact Mass428.96
IUPAC Name4-bromo-N-(3-bromopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
SMILESCC(C)N(CCCBr)C(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H16Br2F3NO/c1-9(2)20(7-3-6-15)13(21)11-5-4-10(16)8-12(11)14(17,18)19/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyMJBYGIXVFWBGCZ-UHFFFAOYSA-N
XLogP5.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.09
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
CID 107332877
4-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 80661501
5-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 80661582
N-(3-bromopropyl)-2-fluoro-N-propan-2-yl-3-(trifluoromethyl)benzamide
CID 80656669
2-bromo-N-(3-bromopropyl)-4-chloro-N-propan-2-ylbenzamide
CID 114025198
3-[[4-bromo-2-(trifluoromethyl)benzoyl]-methylamino]-2-methylpropanoic acid
CID 107332607
N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
CID 43136696
2,4-dibromo-N-propan-2-yl-N-propylbenzamide
CID 107951573
N-(3-bromopropyl)-3-fluoro-N-propan-2-ylbenzamide
CID 80661580
2-bromo-N-(3-bromopropyl)-3-methyl-N-propan-2-ylbenzamide
CID 107983921
5-bromo-2-hydroxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 107729713
4-bromo-N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 115369231

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-bromopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-(3-bromopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide (CID 107333532) is 4-bromo-N-(3-bromopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(3-bromopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-(3-bromopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide is CC(C)N(CCCBr)C(=O)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-N-(3-bromopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide?
The InChIKey is MJBYGIXVFWBGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2F3NO/c1-9(2)20(7-3-6-15)13(21)11-5-4-10(16)8-12(11)14(17,18)19/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 4-bromo-N-(3-bromopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide?
4-bromo-N-(3-bromopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide has a molecular weight of 431.09 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-bromopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 107333532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).