2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide

C17H18BrNO — CID 81110310

IUPAC2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C17H18BrNO/c1-11(2)13-5-7-14(8-6-13)19-17(20)15-10-12(3)4-9-16(15)18/h4-11H,1-3H3,(H,19,20)
InChIKeyCNISHTZMIPLRJA-UHFFFAOYSA-N
MW332.24 g/mol
LogP5.13
Rot. Bonds3

About 2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide

2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide (PubChem CID 81110310) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide
PubChem CID81110310
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C17H18BrNO/c1-11(2)13-5-7-14(8-6-13)19-17(20)15-10-12(3)4-9-16(15)18/h4-11H,1-3H3,(H,19,20)
InChIKeyCNISHTZMIPLRJA-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

2-bromo-N-(4-iodophenyl)-5-methylbenzamide
CID 81109566
2-bromo-N-[4-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 81112261
2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide
CID 81110211
2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 81003356
2-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-methylbenzamide
CID 80973223
N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81110900
4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid
CID 81110247
N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide
CID 43416665
5-amino-2,4-dimethyl-N-(4-propan-2-ylphenyl)benzamide
CID 102704929
2-hydroxy-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide
CID 43508388
1-(4-bromo-3-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991650
2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide
CID 62510659

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide?
The IUPAC name of 2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide (CID 81110310) is 2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide?
The canonical SMILES for 2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide is Cc1ccc(Br)c(C(=O)Nc2ccc(C(C)C)cc2)c1.
What is the InChIKey of 2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide?
The InChIKey is CNISHTZMIPLRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-11(2)13-5-7-14(8-6-13)19-17(20)15-10-12(3)4-9-16(15)18/h4-11H,1-3H3,(H,19,20).
What are the key properties of 2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide?
2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide 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 2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 81110310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).