2-bromo-4-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide

C13H17BrFNO2 — CID 61038650

IUPAC2-bromo-4-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CCCO)C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C13H17BrFNO2/c1-9(2)16(6-3-7-17)13(18)11-5-4-10(15)8-12(11)14/h4-5,8-9,17H,3,6-7H2,1-2H3
InChIKeyWGESRZGACAULNI-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.82
Rot. Bonds5

About 2-bromo-4-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide

2-bromo-4-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide (PubChem CID 61038650) has the molecular formula C13H17BrFNO2 and a molecular weight of 318.19 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
PubChem CID61038650
Molecular FormulaC13H17BrFNO2
Molecular Weight318.19 g/mol
Exact Mass317.04
IUPAC Name2-bromo-4-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CCCO)C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C13H17BrFNO2/c1-9(2)16(6-3-7-17)13(18)11-5-4-10(15)8-12(11)14/h4-5,8-9,17H,3,6-7H2,1-2H3
InChIKeyWGESRZGACAULNI-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Benzyl-2-bromo-N-methylbenzamide
CID 614171
2-bromo-4-fluoro-N,N-dimethylbenzamide
CID 24689405
diethyl ((2-bromo-N-ethylbenzamido)methyl)phosphonate
CID 1897376
3-bromo-N,N-diethyl-4-methylbenzamide
CID 730213
2-bromo-N-(3-ethoxypropyl)benzamide
CID 2179046
2-Bromo-5-fluoro-N,N-di(propan-2-yl)benzamide
CID 26986192
4-bromo-N-butyl-N-ethylbenzamide
CID 2163974
Benzamide, 2-bromo-N-ethyl-N-butyl-
CID 2164030
(2-Bromophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 603309
2-bromo-N,N-dimethylbenzamide
CID 3264342
4-Bromo-N,N-diethyl-2-fluorobenzamide
CID 24694026
2-bromo-N,N-diethyl-4-fluorobenzamide
CID 24692041

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide?
The IUPAC name of 2-bromo-4-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide (CID 61038650) is 2-bromo-4-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide is CC(C)N(CCCO)C(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide?
The InChIKey is WGESRZGACAULNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO2/c1-9(2)16(6-3-7-17)13(18)11-5-4-10(15)8-12(11)14/h4-5,8-9,17H,3,6-7H2,1-2H3.
What are the key properties of 2-bromo-4-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide?
2-bromo-4-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide has a molecular weight of 318.19 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 61038650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).