5-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylbenzamide

C16H15BrClNO — CID 65311511

IUPAC5-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NC(C)c1ccccc1Cl
InChIInChI=1S/C16H15BrClNO/c1-10-7-8-12(17)9-14(10)16(20)19-11(2)13-5-3-4-6-15(13)18/h3-9,11H,1-2H3,(H,19,20)
InChIKeyLHVYHLFQWACPOZ-UHFFFAOYSA-N
MW352.66 g/mol
LogP4.90
Rot. Bonds3

About 5-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylbenzamide

5-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylbenzamide (PubChem CID 65311511) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is 5-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylbenzamide
PubChem CID65311511
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC Name5-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NC(C)c1ccccc1Cl
InChIInChI=1S/C16H15BrClNO/c1-10-7-8-12(17)9-14(10)16(20)19-11(2)13-5-3-4-6-15(13)18/h3-9,11H,1-2H3,(H,19,20)
InChIKeyLHVYHLFQWACPOZ-UHFFFAOYSA-N
XLogP4.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 65311896
N-[1-(2-chlorophenyl)ethyl]-2-methyl-5-sulfanylbenzamide
CID 107025469
2-amino-5-bromo-N-[1-(2-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 62160777
5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide
CID 107868933
2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 114370055
2-bromo-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzamide
CID 46684203
N-[1-(2-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide
CID 43805368
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 65307460
5-bromo-N-(2-chlorophenyl)-2-methylbenzamide
CID 65306919
2-chloro-N-[1-(2-chlorophenyl)ethyl]-5-hydroxybenzamide
CID 106501562
N-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 60701286
5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-2-methylbenzamide
CID 65306853

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylbenzamide?
The IUPAC name of 5-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylbenzamide (CID 65311511) is 5-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)NC(C)c1ccccc1Cl.
What is the InChIKey of 5-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylbenzamide?
The InChIKey is LHVYHLFQWACPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-10-7-8-12(17)9-14(10)16(20)19-11(2)13-5-3-4-6-15(13)18/h3-9,11H,1-2H3,(H,19,20).
What are the key properties of 5-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylbenzamide?
5-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylbenzamide has a molecular weight of 352.66 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 65311511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).