2-bromo-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide

C11H13BrFNO3 — CID 60955626

IUPAC2-bromo-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide
SMILESO=C(c1cc(F)ccc1Br)N(CCO)CCO
InChIInChI=1S/C11H13BrFNO3/c12-10-2-1-8(13)7-9(10)11(17)14(3-5-15)4-6-16/h1-2,7,15-16H,3-6H2
InChIKeyPWODWMQEIZUPTA-UHFFFAOYSA-N
MW306.13 g/mol
LogP1.01
Rot. Bonds5

About 2-bromo-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide

2-bromo-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide (PubChem CID 60955626) has the molecular formula C11H13BrFNO3 and a molecular weight of 306.13 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide
PubChem CID60955626
Molecular FormulaC11H13BrFNO3
Molecular Weight306.13 g/mol
Exact Mass305.01
IUPAC Name2-bromo-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide
SMILESO=C(c1cc(F)ccc1Br)N(CCO)CCO
InChIInChI=1S/C11H13BrFNO3/c12-10-2-1-8(13)7-9(10)11(17)14(3-5-15)4-6-16/h1-2,7,15-16H,3-6H2
InChIKeyPWODWMQEIZUPTA-UHFFFAOYSA-N
XLogP1.01
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.13
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N,N-bis(2-hydroxyethyl)-5-methylbenzamide
CID 81109663
4-fluoro-N,N-bis(2-hydroxyethyl)-2-iodobenzamide
CID 103857248
2-bromo-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60757036
2-bromo-5-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61038774
N-ethyl-5-fluoro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 60706405
2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide
CID 60669039
N-(2-aminoethyl)-2-bromo-5-fluoro-N-methylbenzamide
CID 62686241
2,5-difluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 111122067
2-(3-aminoprop-1-ynyl)-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 61234146
2-bromo-5-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 113351071
N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-fluoro-N-propylbenzamide
CID 79668083
N-ethyl-2,4-difluoro-N-(2-hydroxyethyl)benzamide
CID 60653825

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide?
The IUPAC name of 2-bromo-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide (CID 60955626) is 2-bromo-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide is O=C(c1cc(F)ccc1Br)N(CCO)CCO.
What is the InChIKey of 2-bromo-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide?
The InChIKey is PWODWMQEIZUPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO3/c12-10-2-1-8(13)7-9(10)11(17)14(3-5-15)4-6-16/h1-2,7,15-16H,3-6H2.
What are the key properties of 2-bromo-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide?
2-bromo-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide has a molecular weight of 306.13 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide is sourced from PubChem (CID 60955626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).