4-[(2-bromo-4-fluorophenyl)methylamino]-N-cyclopropylbutanamide

C14H18BrFN2O — CID 79393798

IUPAC4-[(2-bromo-4-fluorophenyl)methylamino]-N-cyclopropylbutanamide
SMILESO=C(CCCNCc1ccc(F)cc1Br)NC1CC1
InChIInChI=1S/C14H18BrFN2O/c15-13-8-11(16)4-3-10(13)9-17-7-1-2-14(19)18-12-5-6-12/h3-4,8,12,17H,1-2,5-7,9H2,(H,18,19)
InChIKeyUTIUXWVCIRTCHD-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.74
Rot. Bonds7

About 4-[(2-bromo-4-fluorophenyl)methylamino]-N-cyclopropylbutanamide

4-[(2-bromo-4-fluorophenyl)methylamino]-N-cyclopropylbutanamide (PubChem CID 79393798) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is 4-[(2-bromo-4-fluorophenyl)methylamino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[(2-bromo-4-fluorophenyl)methylamino]-N-cyclopropylbutanamide
PubChem CID79393798
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name4-[(2-bromo-4-fluorophenyl)methylamino]-N-cyclopropylbutanamide
SMILESO=C(CCCNCc1ccc(F)cc1Br)NC1CC1
InChIInChI=1S/C14H18BrFN2O/c15-13-8-11(16)4-3-10(13)9-17-7-1-2-14(19)18-12-5-6-12/h3-4,8,12,17H,1-2,5-7,9H2,(H,18,19)
InChIKeyUTIUXWVCIRTCHD-UHFFFAOYSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-bromo-4-fluorophenyl)methylamino]propanoic acid
CID 43466684
6-[(2-bromo-4-fluorophenyl)methylamino]hexan-1-ol
CID 103924150
N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methylamino]butanamide
CID 112731367
N-cyclopropyl-4-[(3-fluoro-4-hydroxyphenyl)methylamino]butanamide
CID 107685855
N-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide
CID 78922158
2-[(2-bromo-4-fluorophenyl)methylamino]ethanol
CID 43416404
2-[3-[(2-bromo-4-fluorophenyl)methylamino]propoxy]ethanol
CID 103992524
N-[(2-bromo-4-fluorophenyl)methyl]pentan-1-amine
CID 28569077
2-[(2-bromo-5-fluorophenyl)methylamino]-N-cycloheptylacetamide
CID 62575274
4-[(2,4-difluorophenyl)methylamino]butanoic acid
CID 60782740
N-[(2-bromo-4-fluorophenyl)methyl]-5-iodopentan-1-amine
CID 107320035
4-[(5-bromo-2-prop-2-ynoxyphenyl)methylamino]-N-cyclopropylbutanamide
CID 119111453

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4-fluorophenyl)methylamino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[(2-bromo-4-fluorophenyl)methylamino]-N-cyclopropylbutanamide (CID 79393798) is 4-[(2-bromo-4-fluorophenyl)methylamino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[(2-bromo-4-fluorophenyl)methylamino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[(2-bromo-4-fluorophenyl)methylamino]-N-cyclopropylbutanamide is O=C(CCCNCc1ccc(F)cc1Br)NC1CC1.
What is the InChIKey of 4-[(2-bromo-4-fluorophenyl)methylamino]-N-cyclopropylbutanamide?
The InChIKey is UTIUXWVCIRTCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c15-13-8-11(16)4-3-10(13)9-17-7-1-2-14(19)18-12-5-6-12/h3-4,8,12,17H,1-2,5-7,9H2,(H,18,19).
What are the key properties of 4-[(2-bromo-4-fluorophenyl)methylamino]-N-cyclopropylbutanamide?
4-[(2-bromo-4-fluorophenyl)methylamino]-N-cyclopropylbutanamide has a molecular weight of 329.21 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4-fluorophenyl)methylamino]-N-cyclopropylbutanamide is sourced from PubChem (CID 79393798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).