N-(4-bromo-2-propan-2-ylphenyl)-2-methylbenzamide

C17H18BrNO — CID 804702

IUPACN-(4-bromo-2-propan-2-ylphenyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(Br)cc1C(C)C
InChIInChI=1S/C17H18BrNO/c1-11(2)15-10-13(18)8-9-16(15)19-17(20)14-7-5-4-6-12(14)3/h4-11H,1-3H3,(H,19,20)
InChIKeyHXIYJSNEAKWNRF-UHFFFAOYSA-N
MW332.24 g/mol
LogP5.13
Rot. Bonds3

About N-(4-bromo-2-propan-2-ylphenyl)-2-methylbenzamide

N-(4-bromo-2-propan-2-ylphenyl)-2-methylbenzamide (PubChem CID 804702) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is N-(4-bromo-2-propan-2-ylphenyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-propan-2-ylphenyl)-2-methylbenzamide
PubChem CID804702
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC NameN-(4-bromo-2-propan-2-ylphenyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(Br)cc1C(C)C
InChIInChI=1S/C17H18BrNO/c1-11(2)15-10-13(18)8-9-16(15)19-17(20)14-7-5-4-6-12(14)3/h4-11H,1-3H3,(H,19,20)
InChIKeyHXIYJSNEAKWNRF-UHFFFAOYSA-N
XLogP5.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.24
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 47167937
N-(4-bromo-2-ethylphenyl)-2-methylbenzamide
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5-bromo-2-methyl-N-(2-methylphenyl)benzamide
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N-[4-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylbenzamide
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N-(4-bromo-2-methylphenyl)-2-sulfanylbenzamide
CID 113220443
2-amino-4-bromo-N-(2-propan-2-ylphenyl)benzamide
CID 79714001
N-(2-bromo-4,5-dimethylphenyl)-2-methylbenzamide
CID 1233587
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447
5-bromo-N-(2-carbamoylphenyl)-2-methylbenzamide
CID 65311671
2-amino-N-(5-bromo-2-methylphenyl)benzamide
CID 43805810
5-bromo-2-iodo-N-(2-methylphenyl)benzamide
CID 1368072

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-propan-2-ylphenyl)-2-methylbenzamide?
The IUPAC name of N-(4-bromo-2-propan-2-ylphenyl)-2-methylbenzamide (CID 804702) is N-(4-bromo-2-propan-2-ylphenyl)-2-methylbenzamide.
What is the SMILES notation for N-(4-bromo-2-propan-2-ylphenyl)-2-methylbenzamide?
The canonical SMILES for N-(4-bromo-2-propan-2-ylphenyl)-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(Br)cc1C(C)C.
What is the InChIKey of N-(4-bromo-2-propan-2-ylphenyl)-2-methylbenzamide?
The InChIKey is HXIYJSNEAKWNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-11(2)15-10-13(18)8-9-16(15)19-17(20)14-7-5-4-6-12(14)3/h4-11H,1-3H3,(H,19,20).
What are the key properties of N-(4-bromo-2-propan-2-ylphenyl)-2-methylbenzamide?
N-(4-bromo-2-propan-2-ylphenyl)-2-methylbenzamide has a molecular weight of 332.24 g/mol, XLogP of 5.13, 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-propan-2-ylphenyl)-2-methylbenzamide is sourced from PubChem (CID 804702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).