N-(2-bromophenyl)-3-(4-fluorophenyl)propanamide

C15H13BrFNO — CID 51194781

IUPACN-(2-bromophenyl)-3-(4-fluorophenyl)propanamide
SMILESO=C(CCc1ccc(F)cc1)Nc1ccccc1Br
InChIInChI=1S/C15H13BrFNO/c16-13-3-1-2-4-14(13)18-15(19)10-7-11-5-8-12(17)9-6-11/h1-6,8-9H,7,10H2,(H,18,19)
InChIKeyJFCWRRYZBNWIGM-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.16
Rot. Bonds4

About N-(2-bromophenyl)-3-(4-fluorophenyl)propanamide

N-(2-bromophenyl)-3-(4-fluorophenyl)propanamide (PubChem CID 51194781) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(4-fluorophenyl)propanamide
PubChem CID51194781
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC NameN-(2-bromophenyl)-3-(4-fluorophenyl)propanamide
SMILESO=C(CCc1ccc(F)cc1)Nc1ccccc1Br
InChIInChI=1S/C15H13BrFNO/c16-13-3-1-2-4-14(13)18-15(19)10-7-11-5-8-12(17)9-6-11/h1-6,8-9H,7,10H2,(H,18,19)
InChIKeyJFCWRRYZBNWIGM-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
3-(4-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
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methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
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2-(2-bromoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
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ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 27844298
N-(2-bromophenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide
CID 126267768
4-(2-bromoanilino)-4-oxobutanoic acid
CID 744789
N-(2-bromophenyl)butanamide
CID 732405
N-(2-bromophenyl)-3-(2,4-difluoroanilino)propanamide
CID 109042099
4-(2-bromoanilino)-4-oxobutanoate
CID 6935665
3-(4-fluorophenyl)-N-(2-methoxy-3-methylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-(2-bromophenyl)-3-(4-fluorophenyl)propanamide (CID 51194781) is N-(2-bromophenyl)-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-(2-bromophenyl)-3-(4-fluorophenyl)propanamide is O=C(CCc1ccc(F)cc1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-3-(4-fluorophenyl)propanamide?
The InChIKey is JFCWRRYZBNWIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c16-13-3-1-2-4-14(13)18-15(19)10-7-11-5-8-12(17)9-6-11/h1-6,8-9H,7,10H2,(H,18,19).
What are the key properties of N-(2-bromophenyl)-3-(4-fluorophenyl)propanamide?
N-(2-bromophenyl)-3-(4-fluorophenyl)propanamide has a molecular weight of 322.18 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 51194781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).