3-(3-aminophenyl)-N-(5-bromo-2,4-difluorophenyl)propanamide

C15H13BrF2N2O — CID 102852363

IUPAC3-(3-aminophenyl)-N-(5-bromo-2,4-difluorophenyl)propanamide
SMILESNc1cccc(CCC(=O)Nc2cc(Br)c(F)cc2F)c1
InChIInChI=1S/C15H13BrF2N2O/c16-11-7-14(13(18)8-12(11)17)20-15(21)5-4-9-2-1-3-10(19)6-9/h1-3,6-8H,4-5,19H2,(H,20,21)
InChIKeyHIHOGGOOLIMEAH-UHFFFAOYSA-N
MW355.18 g/mol
LogP3.88
Rot. Bonds4

About 3-(3-aminophenyl)-N-(5-bromo-2,4-difluorophenyl)propanamide

3-(3-aminophenyl)-N-(5-bromo-2,4-difluorophenyl)propanamide (PubChem CID 102852363) has the molecular formula C15H13BrF2N2O and a molecular weight of 355.18 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-(5-bromo-2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-(5-bromo-2,4-difluorophenyl)propanamide
PubChem CID102852363
Molecular FormulaC15H13BrF2N2O
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Name3-(3-aminophenyl)-N-(5-bromo-2,4-difluorophenyl)propanamide
SMILESNc1cccc(CCC(=O)Nc2cc(Br)c(F)cc2F)c1
InChIInChI=1S/C15H13BrF2N2O/c16-11-7-14(13(18)8-12(11)17)20-15(21)5-4-9-2-1-3-10(19)6-9/h1-3,6-8H,4-5,19H2,(H,20,21)
InChIKeyHIHOGGOOLIMEAH-UHFFFAOYSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminophenyl)-N-(2,5-dibromophenyl)propanamide
CID 80700531
2-(3-aminophenyl)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107590864
3-amino-N-(5-bromo-2,4-difluorophenyl)benzamide
CID 102852339
4-(3-aminophenyl)-N-(2-fluorophenyl)butanamide
CID 94281790
3-(3-aminophenyl)-N-(3-bromophenyl)propanamide
CID 28713600
3-(3-aminophenyl)-N-(2,3-dichlorophenyl)propanamide
CID 28713636
2-[3-(3-aminophenyl)propanoylamino]benzoic acid
CID 115341270
3-(3-aminophenyl)-N-(4-fluoro-3-methylphenyl)propanamide
CID 62813104
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
3-(3-bromophenyl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 42990299
3-(3-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)propanamide
CID 43381050
3-(4-aminophenyl)-N-(2,4-difluorophenyl)propanamide
CID 28713220

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-(5-bromo-2,4-difluorophenyl)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-(5-bromo-2,4-difluorophenyl)propanamide (CID 102852363) is 3-(3-aminophenyl)-N-(5-bromo-2,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-(5-bromo-2,4-difluorophenyl)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-(5-bromo-2,4-difluorophenyl)propanamide is Nc1cccc(CCC(=O)Nc2cc(Br)c(F)cc2F)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-(5-bromo-2,4-difluorophenyl)propanamide?
The InChIKey is HIHOGGOOLIMEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O/c16-11-7-14(13(18)8-12(11)17)20-15(21)5-4-9-2-1-3-10(19)6-9/h1-3,6-8H,4-5,19H2,(H,20,21).
What are the key properties of 3-(3-aminophenyl)-N-(5-bromo-2,4-difluorophenyl)propanamide?
3-(3-aminophenyl)-N-(5-bromo-2,4-difluorophenyl)propanamide has a molecular weight of 355.18 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-(5-bromo-2,4-difluorophenyl)propanamide is sourced from PubChem (CID 102852363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).