4-bromo-2-fluoro-N,N-bis(3-methylbutyl)benzamide

C17H25BrFNO — CID 63525644

IUPAC4-bromo-2-fluoro-N,N-bis(3-methylbutyl)benzamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C17H25BrFNO/c1-12(2)7-9-20(10-8-13(3)4)17(21)15-6-5-14(18)11-16(15)19/h5-6,11-13H,7-10H2,1-4H3
InChIKeyDQTJOBNFDHRIOZ-UHFFFAOYSA-N
MW358.30 g/mol
LogP5.12
Rot. Bonds7

About 4-bromo-2-fluoro-N,N-bis(3-methylbutyl)benzamide

4-bromo-2-fluoro-N,N-bis(3-methylbutyl)benzamide (PubChem CID 63525644) has the molecular formula C17H25BrFNO and a molecular weight of 358.30 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N,N-bis(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N,N-bis(3-methylbutyl)benzamide
PubChem CID63525644
Molecular FormulaC17H25BrFNO
Molecular Weight358.30 g/mol
Exact Mass357.11
IUPAC Name4-bromo-2-fluoro-N,N-bis(3-methylbutyl)benzamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C17H25BrFNO/c1-12(2)7-9-20(10-8-13(3)4)17(21)15-6-5-14(18)11-16(15)19/h5-6,11-13H,7-10H2,1-4H3
InChIKeyDQTJOBNFDHRIOZ-UHFFFAOYSA-N
XLogP5.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.30
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N,N-bis(3-methylbutyl)-2-sulfanylbenzamide
CID 107871654
2,5-dibromo-N,N-bis(3-methylbutyl)benzamide
CID 114371455
5-bromo-2-chloro-N,N-bis(3-methylbutyl)benzamide
CID 60653063
4-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methylpropyl)benzamide
CID 60699445
4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 60740683
1-(4-bromo-2-fluorophenyl)-5-methylhexan-1-one
CID 114905932
4-bromo-N-cyclopentyl-2-fluoro-N-(2-methylpropyl)benzamide
CID 112725824
4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide
CID 43274768
4-bromo-2-fluoro-N-methyl-N-propylbenzamide
CID 43271494
2,4-dibromo-N,N-bis(2-methylpropyl)benzamide
CID 107951816
4-bromo-N-(3-chlorobutyl)-2-fluorobenzamide
CID 114301911
4-bromo-2-fluoro-N-(2-methylbutyl)benzamide
CID 55210019

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N,N-bis(3-methylbutyl)benzamide?
The IUPAC name of 4-bromo-2-fluoro-N,N-bis(3-methylbutyl)benzamide (CID 63525644) is 4-bromo-2-fluoro-N,N-bis(3-methylbutyl)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N,N-bis(3-methylbutyl)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N,N-bis(3-methylbutyl)benzamide is CC(C)CCN(CCC(C)C)C(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N,N-bis(3-methylbutyl)benzamide?
The InChIKey is DQTJOBNFDHRIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrFNO/c1-12(2)7-9-20(10-8-13(3)4)17(21)15-6-5-14(18)11-16(15)19/h5-6,11-13H,7-10H2,1-4H3.
What are the key properties of 4-bromo-2-fluoro-N,N-bis(3-methylbutyl)benzamide?
4-bromo-2-fluoro-N,N-bis(3-methylbutyl)benzamide has a molecular weight of 358.30 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N,N-bis(3-methylbutyl)benzamide is sourced from PubChem (CID 63525644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).