4-bromo-3-chloro-N-(2-methylbutyl)benzamide

C12H15BrClNO — CID 81308083

IUPAC4-bromo-3-chloro-N-(2-methylbutyl)benzamide
SMILESCCC(C)CNC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H15BrClNO/c1-3-8(2)7-15-12(16)9-4-5-10(13)11(14)6-9/h4-6,8H,3,7H2,1-2H3,(H,15,16)
InChIKeyBYJZHWSNDAZXBU-UHFFFAOYSA-N
MW304.62 g/mol
LogP3.88
Rot. Bonds4

About 4-bromo-3-chloro-N-(2-methylbutyl)benzamide

4-bromo-3-chloro-N-(2-methylbutyl)benzamide (PubChem CID 81308083) has the molecular formula C12H15BrClNO and a molecular weight of 304.62 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(2-methylbutyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(2-methylbutyl)benzamide
PubChem CID81308083
Molecular FormulaC12H15BrClNO
Molecular Weight304.62 g/mol
Exact Mass303.00
IUPAC Name4-bromo-3-chloro-N-(2-methylbutyl)benzamide
SMILESCCC(C)CNC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H15BrClNO/c1-3-8(2)7-15-12(16)9-4-5-10(13)11(14)6-9/h4-6,8H,3,7H2,1-2H3,(H,15,16)
InChIKeyBYJZHWSNDAZXBU-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide
CID 114302596
4-bromo-3-chloro-N-(2-cyanopropyl)benzamide
CID 81002442
4-bromo-3-chloro-N-(2-ethylhexyl)benzamide
CID 81307789
4-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 81295079
3-bromo-N-(2-methylbutyl)benzamide
CID 62693100
N-(3-bromo-2-methylpropyl)-3,4-dichlorobenzamide
CID 114313406
4-bromo-3-chloro-N-(2-piperidin-1-ylpropyl)benzamide
CID 80973531
4-bromo-3-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103773770
N-(3-aminobutyl)-4-bromo-3-chlorobenzamide
CID 81295761
1-N,3-N,5-N-tris(2-methylbutyl)benzene-1,3,5-tricarboxamide
CID 70884498
4-bromo-3-chloro-N-(2,3-dimethoxypropyl)benzamide
CID 113368724
4-bromo-N-(4-bromopentyl)-3-chlorobenzamide
CID 106130615

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(2-methylbutyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(2-methylbutyl)benzamide (CID 81308083) is 4-bromo-3-chloro-N-(2-methylbutyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(2-methylbutyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(2-methylbutyl)benzamide is CCC(C)CNC(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(2-methylbutyl)benzamide?
The InChIKey is BYJZHWSNDAZXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO/c1-3-8(2)7-15-12(16)9-4-5-10(13)11(14)6-9/h4-6,8H,3,7H2,1-2H3,(H,15,16).
What are the key properties of 4-bromo-3-chloro-N-(2-methylbutyl)benzamide?
4-bromo-3-chloro-N-(2-methylbutyl)benzamide has a molecular weight of 304.62 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(2-methylbutyl)benzamide is sourced from PubChem (CID 81308083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).