4-bromo-3-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

C10H8BrClF3NO2 — CID 103773770

IUPAC4-bromo-3-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESO=C(NCC(O)C(F)(F)F)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H8BrClF3NO2/c11-6-2-1-5(3-7(6)12)9(18)16-4-8(17)10(13,14)15/h1-3,8,17H,4H2,(H,16,18)
InChIKeyLBCFDCIWWVFNRM-UHFFFAOYSA-N
MW346.53 g/mol
LogP2.76
Rot. Bonds3

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

4-bromo-3-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (PubChem CID 103773770) has the molecular formula C10H8BrClF3NO2 and a molecular weight of 346.53 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
PubChem CID103773770
Molecular FormulaC10H8BrClF3NO2
Molecular Weight346.53 g/mol
Exact Mass344.94
IUPAC Name4-bromo-3-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESO=C(NCC(O)C(F)(F)F)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H8BrClF3NO2/c11-6-2-1-5(3-7(6)12)9(18)16-4-8(17)10(13,14)15/h1-3,8,17H,4H2,(H,16,18)
InChIKeyLBCFDCIWWVFNRM-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.53
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103830624
3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113263684
4-chloro-3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103876622
4-bromo-3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 81296219
3,4-dihydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113358595
4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide
CID 114302596
4-bromo-3-chloro-N-(2-methylbutyl)benzamide
CID 81308083
4-bromo-2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113248495
4-bromo-3-chloro-N-(2-cyanopropyl)benzamide
CID 81002442
4-hydroxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103957412
2-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)benzamide
CID 103819616
methyl 2-[(4-bromo-3-chlorobenzoyl)amino]acetate
CID 80954153

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (CID 103773770) is 4-bromo-3-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is O=C(NCC(O)C(F)(F)F)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The InChIKey is LBCFDCIWWVFNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClF3NO2/c11-6-2-1-5(3-7(6)12)9(18)16-4-8(17)10(13,14)15/h1-3,8,17H,4H2,(H,16,18).
What are the key properties of 4-bromo-3-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
4-bromo-3-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide has a molecular weight of 346.53 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is sourced from PubChem (CID 103773770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).