4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide

C11H13BrFNO2 — CID 60740683

IUPAC4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide
SMILESCCN(CCO)C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H13BrFNO2/c1-2-14(5-6-15)11(16)9-4-3-8(12)7-10(9)13/h3-4,7,15H,2,5-6H2,1H3
InChIKeyLZGKLVZZEYYQPD-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.04
Rot. Bonds4

About 4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide

4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide (PubChem CID 60740683) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is 4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide
PubChem CID60740683
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Name4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide
SMILESCCN(CCO)C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H13BrFNO2/c1-2-14(5-6-15)11(16)9-4-3-8(12)7-10(9)13/h3-4,7,15H,2,5-6H2,1H3
InChIKeyLZGKLVZZEYYQPD-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,4-difluoro-N-(2-hydroxyethyl)benzamide
CID 60653825
4-bromo-2-fluoro-N,N-bis(3-methylbutyl)benzamide
CID 63525644
4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide
CID 60674504
4-bromo-2-fluoro-N-methyl-N-propylbenzamide
CID 43271494
N-(2-bromoethyl)-N-ethyl-2,4-difluorobenzamide
CID 80661130
4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide
CID 43274768
5-bromo-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 65311466
N-ethyl-5-fluoro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 60706405
N-ethyl-2-fluoro-4-methyl-N-propylbenzamide
CID 79779356
5-bromo-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79381321
4-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60967608
5-bromo-N-(2-cyanoethyl)-N-ethyl-2-fluorobenzamide
CID 60955236

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide (CID 60740683) is 4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide is CCN(CCO)C(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide?
The InChIKey is LZGKLVZZEYYQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-2-14(5-6-15)11(16)9-4-3-8(12)7-10(9)13/h3-4,7,15H,2,5-6H2,1H3.
What are the key properties of 4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide?
4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide has a molecular weight of 290.13 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 60740683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).