3-bromo-4-chloro-N-(3-propan-2-ylphenyl)benzamide

C16H15BrClNO — CID 107999233

IUPAC3-bromo-4-chloro-N-(3-propan-2-ylphenyl)benzamide
SMILESCC(C)c1cccc(NC(=O)c2ccc(Cl)c(Br)c2)c1
InChIInChI=1S/C16H15BrClNO/c1-10(2)11-4-3-5-13(8-11)19-16(20)12-6-7-15(18)14(17)9-12/h3-10H,1-2H3,(H,19,20)
InChIKeySSVIULQYENQKDG-UHFFFAOYSA-N
MW352.66 g/mol
LogP5.48
Rot. Bonds3

About 3-bromo-4-chloro-N-(3-propan-2-ylphenyl)benzamide

3-bromo-4-chloro-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 107999233) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(3-propan-2-ylphenyl)benzamide
PubChem CID107999233
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC Name3-bromo-4-chloro-N-(3-propan-2-ylphenyl)benzamide
SMILESCC(C)c1cccc(NC(=O)c2ccc(Cl)c(Br)c2)c1
InChIInChI=1S/C16H15BrClNO/c1-10(2)11-4-3-5-13(8-11)19-16(20)12-6-7-15(18)14(17)9-12/h3-10H,1-2H3,(H,19,20)
InChIKeySSVIULQYENQKDG-UHFFFAOYSA-N
XLogP5.48
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 ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-chloro-N-(3-propan-2-ylphenyl)benzamide
CID 81308165
3-bromo-4-chloro-N-(3-fluorophenyl)benzamide
CID 107999213
4-bromo-3-nitro-N-(3-propan-2-ylphenyl)benzamide
CID 26177953
3,5-dichloro-4-methoxy-N-(3-propan-2-ylphenyl)benzamide
CID 18276879
3-bromo-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 107999218
N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide
CID 896623
5-chloro-6-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide
CID 62243463
3,4-dichloro-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
CID 9293234
3-bromo-5-methyl-N-(3-propan-2-ylphenyl)benzamide
CID 86695860
N-(3-chlorophenyl)-4-propan-2-ylbenzamide
CID 1406456
3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide
CID 59803164
3-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide
CID 91676950

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(3-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(3-propan-2-ylphenyl)benzamide (CID 107999233) is 3-bromo-4-chloro-N-(3-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(3-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(3-propan-2-ylphenyl)benzamide is CC(C)c1cccc(NC(=O)c2ccc(Cl)c(Br)c2)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(3-propan-2-ylphenyl)benzamide?
The InChIKey is SSVIULQYENQKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-10(2)11-4-3-5-13(8-11)19-16(20)12-6-7-15(18)14(17)9-12/h3-10H,1-2H3,(H,19,20).
What are the key properties of 3-bromo-4-chloro-N-(3-propan-2-ylphenyl)benzamide?
3-bromo-4-chloro-N-(3-propan-2-ylphenyl)benzamide has a molecular weight of 352.66 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 107999233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).