3-(4-aminophenyl)-N-(3-bromo-4-fluorophenyl)butanamide

C16H16BrFN2O — CID 104778329

IUPAC3-(4-aminophenyl)-N-(3-bromo-4-fluorophenyl)butanamide
SMILESCC(CC(=O)Nc1ccc(F)c(Br)c1)c1ccc(N)cc1
InChIInChI=1S/C16H16BrFN2O/c1-10(11-2-4-12(19)5-3-11)8-16(21)20-13-6-7-15(18)14(17)9-13/h2-7,9-10H,8,19H2,1H3,(H,20,21)
InChIKeyYZLWVCRDYZTXAJ-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.30
Rot. Bonds4

About 3-(4-aminophenyl)-N-(3-bromo-4-fluorophenyl)butanamide

3-(4-aminophenyl)-N-(3-bromo-4-fluorophenyl)butanamide (PubChem CID 104778329) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(3-bromo-4-fluorophenyl)butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(3-bromo-4-fluorophenyl)butanamide
PubChem CID104778329
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC Name3-(4-aminophenyl)-N-(3-bromo-4-fluorophenyl)butanamide
SMILESCC(CC(=O)Nc1ccc(F)c(Br)c1)c1ccc(N)cc1
InChIInChI=1S/C16H16BrFN2O/c1-10(11-2-4-12(19)5-3-11)8-16(21)20-13-6-7-15(18)14(17)9-13/h2-7,9-10H,8,19H2,1H3,(H,20,21)
InChIKeyYZLWVCRDYZTXAJ-UHFFFAOYSA-N
XLogP4.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3-bromo-4-fluorophenyl)butanamide
CID 115738294
3-(4-aminophenyl)-N-(2,5-dibromophenyl)butanamide
CID 104502256
3-(4-aminophenyl)-N-(3-bromo-4-pyridinyl)butanamide
CID 104502905
3-(4-aminophenyl)-N-(5-bromo-2-methylphenyl)butanamide
CID 104502253
3-(4-aminophenyl)-N-(5-chloro-2-methylphenyl)butanamide
CID 104502076
N-(3-bromo-4-fluorophenyl)-2-methoxyacetamide
CID 115661537
(2R)-2-amino-N-(3-bromo-4-fluorophenyl)-3-methylbutanamide
CID 104778265
N,3-bis(4-methylphenyl)butanamide
CID 2750905
(3R)-N,3-bis(4-methylphenyl)butanamide
CID 7054484
3-(4-aminophenyl)-N-(1,2-oxazol-3-yl)butanamide
CID 104502578
3-amino-N-(3,4-difluorophenyl)butanamide
CID 60835672
N-(3-bromo-4-fluorophenyl)-2-methyl-3-(methylamino)propanamide
CID 115738288

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(3-bromo-4-fluorophenyl)butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(3-bromo-4-fluorophenyl)butanamide (CID 104778329) is 3-(4-aminophenyl)-N-(3-bromo-4-fluorophenyl)butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(3-bromo-4-fluorophenyl)butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(3-bromo-4-fluorophenyl)butanamide is CC(CC(=O)Nc1ccc(F)c(Br)c1)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(3-bromo-4-fluorophenyl)butanamide?
The InChIKey is YZLWVCRDYZTXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-10(11-2-4-12(19)5-3-11)8-16(21)20-13-6-7-15(18)14(17)9-13/h2-7,9-10H,8,19H2,1H3,(H,20,21).
What are the key properties of 3-(4-aminophenyl)-N-(3-bromo-4-fluorophenyl)butanamide?
3-(4-aminophenyl)-N-(3-bromo-4-fluorophenyl)butanamide has a molecular weight of 351.22 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(3-bromo-4-fluorophenyl)butanamide is sourced from PubChem (CID 104778329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).