4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide

C13H17BrFNO — CID 43274768

IUPAC4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide
SMILESCCC(C)N(CC)C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C13H17BrFNO/c1-4-9(3)16(5-2)13(17)11-7-6-10(14)8-12(11)15/h6-9H,4-5H2,1-3H3
InChIKeyTYQNMLQZIDYJDI-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.85
Rot. Bonds4

About 4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide

4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide (PubChem CID 43274768) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide
PubChem CID43274768
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide
SMILESCCC(C)N(CC)C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C13H17BrFNO/c1-4-9(3)16(5-2)13(17)11-7-6-10(14)8-12(11)15/h6-9H,4-5H2,1-3H3
InChIKeyTYQNMLQZIDYJDI-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dibromo-N-butan-2-yl-N-ethylbenzamide
CID 107951577
4-bromo-2-fluoro-N,N-bis(3-methylbutyl)benzamide
CID 63525644
4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 60740683
2-amino-N-butan-2-yl-N-ethyl-5-fluorobenzamide
CID 43274590
4-bromo-2-fluoro-N-methyl-N-propylbenzamide
CID 43271494
N-ethyl-2-fluoro-4-methyl-N-propan-2-ylbenzamide
CID 79776951
3,5-dibromo-N-butan-2-yl-N-ethylbenzamide
CID 107980072
4-bromo-2-fluoro-N-(2-methylbutyl)benzamide
CID 55210019
2-[butan-2-yl-(2,4-difluorobenzoyl)amino]acetic acid
CID 54925865
2-[butan-2-yl-(2,4-dibromobenzoyl)amino]acetic acid
CID 107937793
5-[butan-2-yl(ethyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride
CID 65370918
2-[(4-bromo-2-fluorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 62817323

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide (CID 43274768) is 4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide is CCC(C)N(CC)C(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide?
The InChIKey is TYQNMLQZIDYJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-4-9(3)16(5-2)13(17)11-7-6-10(14)8-12(11)15/h6-9H,4-5H2,1-3H3.
What are the key properties of 4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide?
4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide has a molecular weight of 302.19 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide is sourced from PubChem (CID 43274768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).