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

C17H18BrNO — CID 86695860

IUPAC3-bromo-5-methyl-N-(3-propan-2-ylphenyl)benzamide
SMILESCc1cc(Br)cc(C(=O)Nc2cccc(C(C)C)c2)c1
InChIInChI=1S/C17H18BrNO/c1-11(2)13-5-4-6-16(10-13)19-17(20)14-7-12(3)8-15(18)9-14/h4-11H,1-3H3,(H,19,20)
InChIKeyVDYPJFVTPZXOFR-UHFFFAOYSA-N
MW332.24 g/mol
LogP5.13
Rot. Bonds3

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

3-bromo-5-methyl-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 86695860) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(3-propan-2-ylphenyl)benzamide
PubChem CID86695860
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name3-bromo-5-methyl-N-(3-propan-2-ylphenyl)benzamide
SMILESCc1cc(Br)cc(C(=O)Nc2cccc(C(C)C)c2)c1
InChIInChI=1S/C17H18BrNO/c1-11(2)13-5-4-6-16(10-13)19-17(20)14-7-12(3)8-15(18)9-14/h4-11H,1-3H3,(H,19,20)
InChIKeyVDYPJFVTPZXOFR-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-[3-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 104852214
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3-bromo-5-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 104852044
3-bromo-N-[3-[(dimethylamino)methyl]phenyl]-5-methylbenzamide
CID 104852189
3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide
CID 24636290
3-bromo-5-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 104851756
3-bromo-4-chloro-N-(3-propan-2-ylphenyl)benzamide
CID 107999233
4-bromo-3-chloro-N-(3-propan-2-ylphenyl)benzamide
CID 81308165
3,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide
CID 91676952
N-(4-acetylphenyl)-3-bromo-5-methylbenzamide
CID 104851617
3-bromo-N-(3-bromo-5-methylphenyl)benzamide
CID 107583869
N-(3-acetylphenyl)-3,5-dimethylbenzamide
CID 969392

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(3-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-bromo-5-methyl-N-(3-propan-2-ylphenyl)benzamide (CID 86695860) is 3-bromo-5-methyl-N-(3-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-(3-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-bromo-5-methyl-N-(3-propan-2-ylphenyl)benzamide is Cc1cc(Br)cc(C(=O)Nc2cccc(C(C)C)c2)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(3-propan-2-ylphenyl)benzamide?
The InChIKey is VDYPJFVTPZXOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-11(2)13-5-4-6-16(10-13)19-17(20)14-7-12(3)8-15(18)9-14/h4-11H,1-3H3,(H,19,20).
What are the key properties of 3-bromo-5-methyl-N-(3-propan-2-ylphenyl)benzamide?
3-bromo-5-methyl-N-(3-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-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 86695860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).