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

C17H17BrFNO — CID 63525830

IUPAC4-bromo-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
SMILESCC(C)c1ccc(CNC(=O)c2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C17H17BrFNO/c1-11(2)13-5-3-12(4-6-13)10-20-17(21)14-7-8-15(18)16(19)9-14/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyPSWYUUDQIPAXDH-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.64
Rot. Bonds4

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

4-bromo-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide (PubChem CID 63525830) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
PubChem CID63525830
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name4-bromo-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
SMILESCC(C)c1ccc(CNC(=O)c2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C17H17BrFNO/c1-11(2)13-5-3-12(4-6-13)10-20-17(21)14-7-8-15(18)16(19)9-14/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyPSWYUUDQIPAXDH-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 62680801
4-bromo-3-fluoro-N-[(4-methylphenyl)methyl]benzamide
CID 47421954
4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030765
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711
4-bromo-N-[1-(4-ethylphenyl)ethyl]-3-fluorobenzamide
CID 63525462
N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 71822293
4-bromo-3-fluoro-N-(2-oxopropyl)benzamide
CID 64996616
4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide
CID 63524750
N-[(3-bromophenyl)methyl]-4-propan-2-ylbenzamide
CID 60739701
4-bromo-3-fluoro-N-(2-methylsulfanylpropyl)benzamide
CID 115759502
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylbenzamide
CID 38123838
N-(2-amino-3-hydroxybutyl)-4-bromo-3-fluorobenzamide
CID 64540601

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide (CID 63525830) is 4-bromo-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide is CC(C)c1ccc(CNC(=O)c2ccc(Br)c(F)c2)cc1.
What is the InChIKey of 4-bromo-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide?
The InChIKey is PSWYUUDQIPAXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-11(2)13-5-3-12(4-6-13)10-20-17(21)14-7-8-15(18)16(19)9-14/h3-9,11H,10H2,1-2H3,(H,20,21).
What are the key properties of 4-bromo-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide?
4-bromo-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide has a molecular weight of 350.23 g/mol, XLogP of 4.64, 4 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-[(4-propan-2-ylphenyl)methyl]benzamide is sourced from PubChem (CID 63525830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).