4-bromo-3-fluoro-N-(3-phenylbutyl)benzamide

C17H17BrFNO — CID 63525833

IUPAC4-bromo-3-fluoro-N-(3-phenylbutyl)benzamide
SMILESCC(CCNC(=O)c1ccc(Br)c(F)c1)c1ccccc1
InChIInChI=1S/C17H17BrFNO/c1-12(13-5-3-2-4-6-13)9-10-20-17(21)14-7-8-15(18)16(19)11-14/h2-8,11-12H,9-10H2,1H3,(H,20,21)
InChIKeyHAZYKYJXPWTAKN-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.51
Rot. Bonds5

About 4-bromo-3-fluoro-N-(3-phenylbutyl)benzamide

4-bromo-3-fluoro-N-(3-phenylbutyl)benzamide (PubChem CID 63525833) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(3-phenylbutyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(3-phenylbutyl)benzamide
PubChem CID63525833
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name4-bromo-3-fluoro-N-(3-phenylbutyl)benzamide
SMILESCC(CCNC(=O)c1ccc(Br)c(F)c1)c1ccccc1
InChIInChI=1S/C17H17BrFNO/c1-12(13-5-3-2-4-6-13)9-10-20-17(21)14-7-8-15(18)16(19)11-14/h2-8,11-12H,9-10H2,1H3,(H,20,21)
InChIKeyHAZYKYJXPWTAKN-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-phenylbutyl)benzamide
CID 62403316
2-bromo-5-methyl-N-(3-phenylbutyl)benzamide
CID 80999630
4-bromo-3-fluoro-N-(2-fluoroethyl)benzamide
CID 130478173
4-bromo-3-fluoro-N-(1-phenylbutyl)benzamide
CID 63524586
4-(methylamino)-N-(3-phenylbutyl)benzamide
CID 62987359
4-bromo-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 113430397
4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030765
4-bromo-N-(3-chloro-4-methoxybutyl)-3-fluorobenzamide
CID 114163209
2-fluoro-5-methyl-N-(3-phenylbutyl)benzamide
CID 62947552
4-bromo-3-fluoro-N-(2-oxopropyl)benzamide
CID 64996616
4-bromo-N-(2-chloro-1-phenylethyl)-3-fluorobenzamide
CID 114300186
4-bromo-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 63525830

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(3-phenylbutyl)benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-(3-phenylbutyl)benzamide (CID 63525833) is 4-bromo-3-fluoro-N-(3-phenylbutyl)benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(3-phenylbutyl)benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(3-phenylbutyl)benzamide is CC(CCNC(=O)c1ccc(Br)c(F)c1)c1ccccc1.
What is the InChIKey of 4-bromo-3-fluoro-N-(3-phenylbutyl)benzamide?
The InChIKey is HAZYKYJXPWTAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-12(13-5-3-2-4-6-13)9-10-20-17(21)14-7-8-15(18)16(19)11-14/h2-8,11-12H,9-10H2,1H3,(H,20,21).
What are the key properties of 4-bromo-3-fluoro-N-(3-phenylbutyl)benzamide?
4-bromo-3-fluoro-N-(3-phenylbutyl)benzamide has a molecular weight of 350.23 g/mol, XLogP of 4.51, 5 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-(3-phenylbutyl)benzamide is sourced from PubChem (CID 63525833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).