N-(2-bromophenyl)-3-(2,4-difluoroanilino)propanamide

C15H13BrF2N2O — CID 109042099

IUPACN-(2-bromophenyl)-3-(2,4-difluoroanilino)propanamide
SMILESO=C(CCNc1ccc(F)cc1F)Nc1ccccc1Br
InChIInChI=1S/C15H13BrF2N2O/c16-11-3-1-2-4-13(11)20-15(21)7-8-19-14-6-5-10(17)9-12(14)18/h1-6,9,19H,7-8H2,(H,20,21)
InChIKeyJNHPVGGOTVMGHN-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.17
Rot. Bonds5

About N-(2-bromophenyl)-3-(2,4-difluoroanilino)propanamide

N-(2-bromophenyl)-3-(2,4-difluoroanilino)propanamide (PubChem CID 109042099) has the molecular formula C15H13BrF2N2O and a molecular weight of 355.18 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(2,4-difluoroanilino)propanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(2,4-difluoroanilino)propanamide
PubChem CID109042099
Molecular FormulaC15H13BrF2N2O
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC NameN-(2-bromophenyl)-3-(2,4-difluoroanilino)propanamide
SMILESO=C(CCNc1ccc(F)cc1F)Nc1ccccc1Br
InChIInChI=1S/C15H13BrF2N2O/c16-11-3-1-2-4-13(11)20-15(21)7-8-19-14-6-5-10(17)9-12(14)18/h1-6,9,19H,7-8H2,(H,20,21)
InChIKeyJNHPVGGOTVMGHN-UHFFFAOYSA-N
XLogP4.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
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3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide
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CID 109041216
N-(2-bromophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038471
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N-(2-bromophenyl)-3-(3-methylanilino)propanamide
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N,N'-bis(2-bromophenyl)butanediamide
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CID 79768515

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(2,4-difluoroanilino)propanamide?
The IUPAC name of N-(2-bromophenyl)-3-(2,4-difluoroanilino)propanamide (CID 109042099) is N-(2-bromophenyl)-3-(2,4-difluoroanilino)propanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-(2,4-difluoroanilino)propanamide?
The canonical SMILES for N-(2-bromophenyl)-3-(2,4-difluoroanilino)propanamide is O=C(CCNc1ccc(F)cc1F)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-3-(2,4-difluoroanilino)propanamide?
The InChIKey is JNHPVGGOTVMGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O/c16-11-3-1-2-4-13(11)20-15(21)7-8-19-14-6-5-10(17)9-12(14)18/h1-6,9,19H,7-8H2,(H,20,21).
What are the key properties of N-(2-bromophenyl)-3-(2,4-difluoroanilino)propanamide?
N-(2-bromophenyl)-3-(2,4-difluoroanilino)propanamide has a molecular weight of 355.18 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-(2,4-difluoroanilino)propanamide is sourced from PubChem (CID 109042099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).