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

C17H18BrNO — CID 104851756

IUPAC3-bromo-5-methyl-N-(2-propan-2-ylphenyl)benzamide
SMILESCc1cc(Br)cc(C(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C17H18BrNO/c1-11(2)15-6-4-5-7-16(15)19-17(20)13-8-12(3)9-14(18)10-13/h4-11H,1-3H3,(H,19,20)
InChIKeyKNHQDHAARMWTAN-UHFFFAOYSA-N
MW332.24 g/mol
LogP5.13
Rot. Bonds3

About 3-bromo-5-methyl-N-(2-propan-2-ylphenyl)benzamide

3-bromo-5-methyl-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 104851756) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(2-propan-2-ylphenyl)benzamide
PubChem CID104851756
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name3-bromo-5-methyl-N-(2-propan-2-ylphenyl)benzamide
SMILESCc1cc(Br)cc(C(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C17H18BrNO/c1-11(2)15-6-4-5-7-16(15)19-17(20)13-8-12(3)9-14(18)10-13/h4-11H,1-3H3,(H,19,20)
InChIKeyKNHQDHAARMWTAN-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

3-bromo-N-(2,3-dimethylphenyl)-5-methylbenzamide
CID 104851827
N-(2-propan-2-ylphenyl)benzamide
CID 723391
N-[2-(aminomethyl)phenyl]-3-bromo-5-methylbenzamide
CID 115999651
3,5-diamino-N-(2-propan-2-ylphenyl)benzamide
CID 61092144
2-[(3-bromo-5-methylbenzoyl)amino]benzenesulfonyl fluoride
CID 116814224
4-bromo-3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 81308068
4-bromo-3-fluoro-N-(2-propan-2-ylphenyl)benzamide
CID 47421830
3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 1350696
3-bromo-5-methyl-N-(3-propan-2-ylphenyl)benzamide
CID 86695860
3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide
CID 104851666
3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide
CID 104851628
3-bromo-5-methyl-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 104851985

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-bromo-5-methyl-N-(2-propan-2-ylphenyl)benzamide (CID 104851756) is 3-bromo-5-methyl-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-bromo-5-methyl-N-(2-propan-2-ylphenyl)benzamide is Cc1cc(Br)cc(C(=O)Nc2ccccc2C(C)C)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is KNHQDHAARMWTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-11(2)15-6-4-5-7-16(15)19-17(20)13-8-12(3)9-14(18)10-13/h4-11H,1-3H3,(H,19,20).
What are the key properties of 3-bromo-5-methyl-N-(2-propan-2-ylphenyl)benzamide?
3-bromo-5-methyl-N-(2-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 3-bromo-5-methyl-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 104851756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).