2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

C10H8Br2F3NO2 — CID 103883092

IUPAC2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESO=C(NCC(O)C(F)(F)F)c1ccc(Br)cc1Br
InChIInChI=1S/C10H8Br2F3NO2/c11-5-1-2-6(7(12)3-5)9(18)16-4-8(17)10(13,14)15/h1-3,8,17H,4H2,(H,16,18)
InChIKeyDQXQVELBBMBCFN-UHFFFAOYSA-N
MW390.98 g/mol
LogP2.86
Rot. Bonds3

About 2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (PubChem CID 103883092) has the molecular formula C10H8Br2F3NO2 and a molecular weight of 390.98 g/mol. Its IUPAC name is 2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
PubChem CID103883092
Molecular FormulaC10H8Br2F3NO2
Molecular Weight390.98 g/mol
Exact Mass388.89
IUPAC Name2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESO=C(NCC(O)C(F)(F)F)c1ccc(Br)cc1Br
InChIInChI=1S/C10H8Br2F3NO2/c11-5-1-2-6(7(12)3-5)9(18)16-4-8(17)10(13,14)15/h1-3,8,17H,4H2,(H,16,18)
InChIKeyDQXQVELBBMBCFN-UHFFFAOYSA-N
XLogP2.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.98
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113248495
4-bromo-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103726237
3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid
CID 107938123
2-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)benzamide
CID 103819616
N-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide
CID 106164860
4-chloro-2-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103723353
2,4-dibromo-N-(2-chloro-4,4-dimethylpentyl)benzamide
CID 107941541
2-bromo-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]benzamide
CID 103726174
4-bromo-3-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103830624
2,5-difluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113248488
2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide
CID 103882658
2,4-dibromo-N-(2-chloropentyl)benzamide
CID 107941412

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (CID 103883092) is 2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is O=C(NCC(O)C(F)(F)F)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The InChIKey is DQXQVELBBMBCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2F3NO2/c11-5-1-2-6(7(12)3-5)9(18)16-4-8(17)10(13,14)15/h1-3,8,17H,4H2,(H,16,18).
What are the key properties of 2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide has a molecular weight of 390.98 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is sourced from PubChem (CID 103883092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).