3-bromo-5-chloro-N-[2-(2-methylphenyl)ethyl]benzamide

C16H15BrClNO — CID 107952730

IUPAC3-bromo-5-chloro-N-[2-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1CCNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H15BrClNO/c1-11-4-2-3-5-12(11)6-7-19-16(20)13-8-14(17)10-15(18)9-13/h2-5,8-10H,6-7H2,1H3,(H,19,20)
InChIKeyDEEJOVSQJLUCKJ-UHFFFAOYSA-N
MW352.66 g/mol
LogP4.38
Rot. Bonds4

About 3-bromo-5-chloro-N-[2-(2-methylphenyl)ethyl]benzamide

3-bromo-5-chloro-N-[2-(2-methylphenyl)ethyl]benzamide (PubChem CID 107952730) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[2-(2-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[2-(2-methylphenyl)ethyl]benzamide
PubChem CID107952730
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC Name3-bromo-5-chloro-N-[2-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1CCNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H15BrClNO/c1-11-4-2-3-5-12(11)6-7-19-16(20)13-8-14(17)10-15(18)9-13/h2-5,8-10H,6-7H2,1H3,(H,19,20)
InChIKeyDEEJOVSQJLUCKJ-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837884
3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
CID 107941216
4-amino-3-bromo-N-[2-(2-methylphenyl)ethyl]benzamide
CID 79749765
3-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylbenzamide
CID 104851790
3-bromo-5-chloro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 103826531
3-bromo-5-chloro-N-[3-(dimethylamino)-3-oxopropyl]benzamide
CID 103826635
4-hydroxy-3-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 103956274
5-chloro-N-[2-(2-methylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618039
N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide
CID 110609883
ethyl 3-[(3-bromo-5-chlorobenzoyl)amino]propanoate
CID 103826754
3-bromo-5-chloro-N-(3-phenoxypropyl)benzamide
CID 107952345
4-bromo-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 26927952

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[2-(2-methylphenyl)ethyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[2-(2-methylphenyl)ethyl]benzamide (CID 107952730) is 3-bromo-5-chloro-N-[2-(2-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[2-(2-methylphenyl)ethyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[2-(2-methylphenyl)ethyl]benzamide is Cc1ccccc1CCNC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-[2-(2-methylphenyl)ethyl]benzamide?
The InChIKey is DEEJOVSQJLUCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-11-4-2-3-5-12(11)6-7-19-16(20)13-8-14(17)10-15(18)9-13/h2-5,8-10H,6-7H2,1H3,(H,19,20).
What are the key properties of 3-bromo-5-chloro-N-[2-(2-methylphenyl)ethyl]benzamide?
3-bromo-5-chloro-N-[2-(2-methylphenyl)ethyl]benzamide has a molecular weight of 352.66 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[2-(2-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 107952730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).