3-bromo-5-chloro-N-methyl-N-(2-phenylethyl)benzamide

C16H15BrClNO — CID 103826656

IUPAC3-bromo-5-chloro-N-methyl-N-(2-phenylethyl)benzamide
SMILESCN(CCc1ccccc1)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H15BrClNO/c1-19(8-7-12-5-3-2-4-6-12)16(20)13-9-14(17)11-15(18)10-13/h2-6,9-11H,7-8H2,1H3
InChIKeyOBTYRHOTTDLXKW-UHFFFAOYSA-N
MW352.66 g/mol
LogP4.42
Rot. Bonds4

About 3-bromo-5-chloro-N-methyl-N-(2-phenylethyl)benzamide

3-bromo-5-chloro-N-methyl-N-(2-phenylethyl)benzamide (PubChem CID 103826656) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-methyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-methyl-N-(2-phenylethyl)benzamide
PubChem CID103826656
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC Name3-bromo-5-chloro-N-methyl-N-(2-phenylethyl)benzamide
SMILESCN(CCc1ccccc1)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H15BrClNO/c1-19(8-7-12-5-3-2-4-6-12)16(20)13-9-14(17)11-15(18)10-13/h2-6,9-11H,7-8H2,1H3
InChIKeyOBTYRHOTTDLXKW-UHFFFAOYSA-N
XLogP4.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N,5-dimethyl-N-(2-phenylethyl)benzamide
CID 104852356
3-bromo-N-butyl-5-chloro-N-methylbenzamide
CID 110415930
3-bromo-5-chloro-N-ethyl-N-methylbenzamide
CID 103826781
3-bromo-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 107952081
1-(3-bromo-5-chlorophenyl)-4-phenylbutan-1-one
CID 114019104
3-bromo-5-chloro-N-(3-hydroxybutyl)-N-methylbenzamide
CID 103827200
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
3-bromo-N-[2-(2-bromoethoxy)ethyl]-5-chloro-N-methylbenzamide
CID 114242851
5-chloro-N-methyl-N-(2-phenylethyl)furan-2-carboxamide
CID 103612110
3-bromo-5-chloro-N-(cyanomethyl)-N-methylbenzamide
CID 103826873
3-bromo-5-chloro-N-methyl-N-prop-2-enylbenzamide
CID 104952959
2-bromo-N-methyl-N-(2-phenylethyl)benzamide
CID 60739770

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-methyl-N-(2-phenylethyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-methyl-N-(2-phenylethyl)benzamide (CID 103826656) is 3-bromo-5-chloro-N-methyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-methyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-methyl-N-(2-phenylethyl)benzamide is CN(CCc1ccccc1)C(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-methyl-N-(2-phenylethyl)benzamide?
The InChIKey is OBTYRHOTTDLXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-19(8-7-12-5-3-2-4-6-12)16(20)13-9-14(17)11-15(18)10-13/h2-6,9-11H,7-8H2,1H3.
What are the key properties of 3-bromo-5-chloro-N-methyl-N-(2-phenylethyl)benzamide?
3-bromo-5-chloro-N-methyl-N-(2-phenylethyl)benzamide has a molecular weight of 352.66 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-methyl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 103826656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).