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

C13H17BrClNO — CID 103988541

IUPAC3-bromo-2-chloro-N-methyl-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(C)C(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C13H17BrClNO/c1-9(2)7-8-16(3)13(17)10-5-4-6-11(14)12(10)15/h4-6,9H,7-8H2,1-3H3
InChIKeySKOMBLVIELLHRM-UHFFFAOYSA-N
MW318.64 g/mol
LogP4.22
Rot. Bonds4

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

3-bromo-2-chloro-N-methyl-N-(3-methylbutyl)benzamide (PubChem CID 103988541) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-methyl-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-methyl-N-(3-methylbutyl)benzamide
PubChem CID103988541
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC Name3-bromo-2-chloro-N-methyl-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(C)C(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C13H17BrClNO/c1-9(2)7-8-16(3)13(17)10-5-4-6-11(14)12(10)15/h4-6,9H,7-8H2,1-3H3
InChIKeySKOMBLVIELLHRM-UHFFFAOYSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-bromo-2-chloro-N-methylbenzamide
CID 113402939
3-bromo-2-chloro-N-methyl-N-pentan-2-ylbenzamide
CID 103988617
3-bromo-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 113361108
3-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)benzamide
CID 103993167
methyl 2-[(3-bromo-2-chlorobenzoyl)-methylamino]acetate
CID 103994339
2-[methyl(3-methylbutyl)carbamoyl]benzoic acid
CID 60948718
3-bromo-2-chloro-N,N-diethylbenzamide
CID 103975185
N-methyl-2-(methylamino)-N-(3-methylbutyl)benzamide
CID 61377480
N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride
CID 119658345
2-(ethylamino)-N-methyl-N-(3-methylbutyl)benzamide
CID 62177256
N-methyl-N-(3-methylbutyl)-1,3-benzodioxole-4-carboxamide
CID 87020392
2-[(3-bromo-2-chlorobenzoyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107423704

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-methyl-N-(3-methylbutyl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-methyl-N-(3-methylbutyl)benzamide (CID 103988541) is 3-bromo-2-chloro-N-methyl-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-methyl-N-(3-methylbutyl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-methyl-N-(3-methylbutyl)benzamide is CC(C)CCN(C)C(=O)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-methyl-N-(3-methylbutyl)benzamide?
The InChIKey is SKOMBLVIELLHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO/c1-9(2)7-8-16(3)13(17)10-5-4-6-11(14)12(10)15/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 3-bromo-2-chloro-N-methyl-N-(3-methylbutyl)benzamide?
3-bromo-2-chloro-N-methyl-N-(3-methylbutyl)benzamide has a molecular weight of 318.64 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-methyl-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 103988541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).