5-bromo-N-butyl-2-chloro-N-methylbenzamide

C12H15BrClNO — CID 60653969

IUPAC5-bromo-N-butyl-2-chloro-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H15BrClNO/c1-3-4-7-15(2)12(16)10-8-9(13)5-6-11(10)14/h5-6,8H,3-4,7H2,1-2H3
InChIKeyYSLANQZFRCAONM-UHFFFAOYSA-N
MW304.62 g/mol
LogP3.97
Rot. Bonds4

About 5-bromo-N-butyl-2-chloro-N-methylbenzamide

5-bromo-N-butyl-2-chloro-N-methylbenzamide (PubChem CID 60653969) has the molecular formula C12H15BrClNO and a molecular weight of 304.62 g/mol. Its IUPAC name is 5-bromo-N-butyl-2-chloro-N-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-butyl-2-chloro-N-methylbenzamide
PubChem CID60653969
Molecular FormulaC12H15BrClNO
Molecular Weight304.62 g/mol
Exact Mass303.00
IUPAC Name5-bromo-N-butyl-2-chloro-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H15BrClNO/c1-3-4-7-15(2)12(16)10-8-9(13)5-6-11(10)14/h5-6,8H,3-4,7H2,1-2H3
InChIKeyYSLANQZFRCAONM-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036874
3-bromo-N-butyl-5-chloro-N-methylbenzamide
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N-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide
CID 104872346
5-bromo-N-(5-bromopentyl)-N,2-dimethylbenzamide
CID 107206197
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-butyl-2-chloro-N-methylbenzamide?
The IUPAC name of 5-bromo-N-butyl-2-chloro-N-methylbenzamide (CID 60653969) is 5-bromo-N-butyl-2-chloro-N-methylbenzamide.
What is the SMILES notation for 5-bromo-N-butyl-2-chloro-N-methylbenzamide?
The canonical SMILES for 5-bromo-N-butyl-2-chloro-N-methylbenzamide is CCCCN(C)C(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-N-butyl-2-chloro-N-methylbenzamide?
The InChIKey is YSLANQZFRCAONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO/c1-3-4-7-15(2)12(16)10-8-9(13)5-6-11(10)14/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 5-bromo-N-butyl-2-chloro-N-methylbenzamide?
5-bromo-N-butyl-2-chloro-N-methylbenzamide has a molecular weight of 304.62 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-butyl-2-chloro-N-methylbenzamide is sourced from PubChem (CID 60653969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).