4-amino-N-(4-bromo-2,5-difluorophenyl)butanamide

C10H11BrF2N2O — CID 107611740

IUPAC4-amino-N-(4-bromo-2,5-difluorophenyl)butanamide
SMILESNCCCC(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C10H11BrF2N2O/c11-6-4-8(13)9(5-7(6)12)15-10(16)2-1-3-14/h4-5H,1-3,14H2,(H,15,16)
InChIKeyHGZAMHNZRMHHMH-UHFFFAOYSA-N
MW293.11 g/mol
LogP2.40
Rot. Bonds4

About 4-amino-N-(4-bromo-2,5-difluorophenyl)butanamide

4-amino-N-(4-bromo-2,5-difluorophenyl)butanamide (PubChem CID 107611740) has the molecular formula C10H11BrF2N2O and a molecular weight of 293.11 g/mol. Its IUPAC name is 4-amino-N-(4-bromo-2,5-difluorophenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(4-bromo-2,5-difluorophenyl)butanamide
PubChem CID107611740
Molecular FormulaC10H11BrF2N2O
Molecular Weight293.11 g/mol
Exact Mass292.00
IUPAC Name4-amino-N-(4-bromo-2,5-difluorophenyl)butanamide
SMILESNCCCC(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C10H11BrF2N2O/c11-6-4-8(13)9(5-7(6)12)15-10(16)2-1-3-14/h4-5H,1-3,14H2,(H,15,16)
InChIKeyHGZAMHNZRMHHMH-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide
CID 107592166
2-bromo-N-(4-bromo-2,5-difluorophenyl)acetamide
CID 107610790
N-(5-bromo-2,4-difluorophenyl)-5-chloropentanamide
CID 102853254
4-amino-N-(5-bromo-2-fluorophenyl)butanamide;hydrochloride
CID 119281028
7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide
CID 107592189
4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride
CID 119262959
5-(4-aminobutanoylamino)-2,4-difluorobenzoic acid
CID 43696525
tert-butyl 4-(4-bromo-2,5-difluoroanilino)-4-oxobutanoate
CID 106812324
N-(4-bromo-2,5-difluorophenyl)-2-(2,4-difluorophenyl)acetamide
CID 103842501
4-amino-N-(2-bromo-5-methylphenyl)butanamide
CID 82757472
N-(4-bromo-2,5-difluorophenyl)-2-(2-fluorophenyl)acetamide
CID 103842634
7-amino-N-(2,5-difluoro-4-methoxyphenyl)heptanamide
CID 119812850

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromo-2,5-difluorophenyl)butanamide?
The IUPAC name of 4-amino-N-(4-bromo-2,5-difluorophenyl)butanamide (CID 107611740) is 4-amino-N-(4-bromo-2,5-difluorophenyl)butanamide.
What is the SMILES notation for 4-amino-N-(4-bromo-2,5-difluorophenyl)butanamide?
The canonical SMILES for 4-amino-N-(4-bromo-2,5-difluorophenyl)butanamide is NCCCC(=O)Nc1cc(F)c(Br)cc1F.
What is the InChIKey of 4-amino-N-(4-bromo-2,5-difluorophenyl)butanamide?
The InChIKey is HGZAMHNZRMHHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2O/c11-6-4-8(13)9(5-7(6)12)15-10(16)2-1-3-14/h4-5H,1-3,14H2,(H,15,16).
What are the key properties of 4-amino-N-(4-bromo-2,5-difluorophenyl)butanamide?
4-amino-N-(4-bromo-2,5-difluorophenyl)butanamide has a molecular weight of 293.11 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-bromo-2,5-difluorophenyl)butanamide is sourced from PubChem (CID 107611740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).