N-(4-bromo-2-ethylphenyl)-3-chloro-2-methylbenzamide

C16H15BrClNO — CID 107096920

IUPACN-(4-bromo-2-ethylphenyl)-3-chloro-2-methylbenzamide
SMILESCCc1cc(Br)ccc1NC(=O)c1cccc(Cl)c1C
InChIInChI=1S/C16H15BrClNO/c1-3-11-9-12(17)7-8-15(11)19-16(20)13-5-4-6-14(18)10(13)2/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyIGPUQDIMXKKBHZ-UHFFFAOYSA-N
MW352.66 g/mol
LogP5.23
Rot. Bonds3

About N-(4-bromo-2-ethylphenyl)-3-chloro-2-methylbenzamide

N-(4-bromo-2-ethylphenyl)-3-chloro-2-methylbenzamide (PubChem CID 107096920) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-3-chloro-2-methylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-3-chloro-2-methylbenzamide
PubChem CID107096920
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC NameN-(4-bromo-2-ethylphenyl)-3-chloro-2-methylbenzamide
SMILESCCc1cc(Br)ccc1NC(=O)c1cccc(Cl)c1C
InChIInChI=1S/C16H15BrClNO/c1-3-11-9-12(17)7-8-15(11)19-16(20)13-5-4-6-14(18)10(13)2/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyIGPUQDIMXKKBHZ-UHFFFAOYSA-N
XLogP5.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.66
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(4-bromo-2-ethylphenyl)-3-methylbenzamide
CID 103855381
N-(4-bromo-2-ethylphenyl)-2-methylbenzamide
CID 81003246
N-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide
CID 114343713
N-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide
CID 81035804
2,4-dibromo-N-(3-chloro-2-methylphenyl)benzamide
CID 113345152
1-(4-bromo-2-ethylphenyl)-3-(2,3-dichlorophenyl)thiourea
CID 19687705
2-bromo-N-(4-bromo-2-ethylphenyl)furan-3-carboxamide
CID 106852304
N-(4-bromo-2-chlorophenyl)-2-methyl-3-nitrobenzamide
CID 17311397
3-amino-N-(4-bromo-2-ethylphenyl)-4,5-dichlorobenzamide
CID 81289576
N-(4-bromo-2-ethylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 81287386
N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide
CID 107096907
N-(2-amino-4,5-dimethylphenyl)-3-chloro-2-methylbenzamide
CID 107095769

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-3-chloro-2-methylbenzamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-3-chloro-2-methylbenzamide (CID 107096920) is N-(4-bromo-2-ethylphenyl)-3-chloro-2-methylbenzamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-3-chloro-2-methylbenzamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-3-chloro-2-methylbenzamide is CCc1cc(Br)ccc1NC(=O)c1cccc(Cl)c1C.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-3-chloro-2-methylbenzamide?
The InChIKey is IGPUQDIMXKKBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-3-11-9-12(17)7-8-15(11)19-16(20)13-5-4-6-14(18)10(13)2/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of N-(4-bromo-2-ethylphenyl)-3-chloro-2-methylbenzamide?
N-(4-bromo-2-ethylphenyl)-3-chloro-2-methylbenzamide has a molecular weight of 352.66 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-3-chloro-2-methylbenzamide is sourced from PubChem (CID 107096920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).