3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide

C15H21BrFNO — CID 107951815

IUPAC3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide
SMILESCCC(CC)CN(CC)C(=O)c1cccc(Br)c1F
InChIInChI=1S/C15H21BrFNO/c1-4-11(5-2)10-18(6-3)15(19)12-8-7-9-13(16)14(12)17/h7-9,11H,4-6,10H2,1-3H3
InChIKeySRUKOTPVZPCVTH-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.49
Rot. Bonds6

About 3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide

3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide (PubChem CID 107951815) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is 3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide
PubChem CID107951815
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide
SMILESCCC(CC)CN(CC)C(=O)c1cccc(Br)c1F
InChIInChI=1S/C15H21BrFNO/c1-4-11(5-2)10-18(6-3)15(19)12-8-7-9-13(16)14(12)17/h7-9,11H,4-6,10H2,1-3H3
InChIKeySRUKOTPVZPCVTH-UHFFFAOYSA-N
XLogP4.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 106544231
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CID 103752405
3-bromo-N-ethyl-2-fluoro-N-(2-fluorophenyl)benzamide
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3-bromo-2-fluoro-N,N-dimethylbenzamide
CID 59375042
3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide
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3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluorobenzamide
CID 114020515
N-ethyl-N-(2-ethylbutyl)-2-propan-2-ylsulfonylbenzamide
CID 60621557
5-amino-2-bromo-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzamide
CID 62816642
N,N-diethyl-2-fluoro-3-methylbenzamide
CID 80718588
N-ethyl-N-(2-ethylbutyl)-2-propylsulfonylbenzamide
CID 60621588
N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide
CID 103101747
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CID 114021292

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide (CID 107951815) is 3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide is CCC(CC)CN(CC)C(=O)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide?
The InChIKey is SRUKOTPVZPCVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-4-11(5-2)10-18(6-3)15(19)12-8-7-9-13(16)14(12)17/h7-9,11H,4-6,10H2,1-3H3.
What are the key properties of 3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide?
3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide has a molecular weight of 330.24 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide is sourced from PubChem (CID 107951815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).