3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide

C15H13BrF2N2O — CID 109042183

IUPAC3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide
SMILESO=C(CCNc1cccc(Br)c1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H13BrF2N2O/c16-10-2-1-3-11(8-10)19-7-6-15(21)20-12-4-5-13(17)14(18)9-12/h1-5,8-9,19H,6-7H2,(H,20,21)
InChIKeyAWTYRWLGDVDSNY-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.17
Rot. Bonds5

About 3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide

3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide (PubChem CID 109042183) has the molecular formula C15H13BrF2N2O and a molecular weight of 355.18 g/mol. Its IUPAC name is 3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide
PubChem CID109042183
Molecular FormulaC15H13BrF2N2O
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Name3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide
SMILESO=C(CCNc1cccc(Br)c1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H13BrF2N2O/c16-10-2-1-3-11(8-10)19-7-6-15(21)20-12-4-5-13(17)14(18)9-12/h1-5,8-9,19H,6-7H2,(H,20,21)
InChIKeyAWTYRWLGDVDSNY-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

3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
CID 109034228
N-(3-bromophenyl)-3-(4-fluoroanilino)propanamide
CID 109037759
3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109041188
N-(3-bromophenyl)-3-(4-cyanoanilino)propanamide
CID 109042157
N-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109041238
N-(4-bromo-2-methylphenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042222
3-(3-bromoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109042170
N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042632
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
3-(3-bromoanilino)-N-methylpropanamide
CID 62324388
3-(4-bromoanilino)-N-(3-methylphenyl)propanamide
CID 109034162
3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040581

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide?
The IUPAC name of 3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide (CID 109042183) is 3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for 3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide is O=C(CCNc1cccc(Br)c1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide?
The InChIKey is AWTYRWLGDVDSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O/c16-10-2-1-3-11(8-10)19-7-6-15(21)20-12-4-5-13(17)14(18)9-12/h1-5,8-9,19H,6-7H2,(H,20,21).
What are the key properties of 3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide?
3-(3-bromoanilino)-N-(3,4-difluorophenyl)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 3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 109042183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).