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

C16H15BrFNO — CID 47421830

IUPAC4-bromo-3-fluoro-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C16H15BrFNO/c1-10(2)12-5-3-4-6-15(12)19-16(20)11-7-8-13(17)14(18)9-11/h3-10H,1-2H3,(H,19,20)
InChIKeyDPQHPOVVUVAIFU-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.96
Rot. Bonds3

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

4-bromo-3-fluoro-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 47421830) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(2-propan-2-ylphenyl)benzamide
PubChem CID47421830
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name4-bromo-3-fluoro-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C16H15BrFNO/c1-10(2)12-5-3-4-6-15(12)19-16(20)11-7-8-13(17)14(18)9-11/h3-10H,1-2H3,(H,19,20)
InChIKeyDPQHPOVVUVAIFU-UHFFFAOYSA-N
XLogP4.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 81308068
4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049811
N-(2-acetylphenyl)-4-bromo-3-fluorobenzamide
CID 47421879
3-bromo-N-[2-(1-chloroethyl)phenyl]-4-fluorobenzamide
CID 107956691
4-bromo-N-(2-tert-butylphenyl)-3-fluorobenzamide
CID 63525115
N-(2-propan-2-ylphenyl)benzamide
CID 723391
3-bromo-5-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 104851756
3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid
CID 43452749
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043167
3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 681881
N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
CID 2678500
3-bromo-N-[2-(1-bromoethyl)phenyl]-4-methylbenzamide
CID 114315561

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-(2-propan-2-ylphenyl)benzamide (CID 47421830) is 4-bromo-3-fluoro-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(2-propan-2-ylphenyl)benzamide is CC(C)c1ccccc1NC(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is DPQHPOVVUVAIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-10(2)12-5-3-4-6-15(12)19-16(20)11-7-8-13(17)14(18)9-11/h3-10H,1-2H3,(H,19,20).
What are the key properties of 4-bromo-3-fluoro-N-(2-propan-2-ylphenyl)benzamide?
4-bromo-3-fluoro-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 336.20 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 47421830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).