N-(4-bromo-2,6-dichlorophenyl)-3-[(2,4-difluorophenyl)methylamino]propanamide

C16H13BrCl2F2N2O — CID 69455106

IUPACN-(4-bromo-2,6-dichlorophenyl)-3-[(2,4-difluorophenyl)methylamino]propanamide
SMILESO=C(CCNCc1ccc(F)cc1F)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C16H13BrCl2F2N2O/c17-10-5-12(18)16(13(19)6-10)23-15(24)3-4-22-8-9-1-2-11(20)7-14(9)21/h1-2,5-7,22H,3-4,8H2,(H,23,24)
InChIKeyQHKOMLGPAINEIA-UHFFFAOYSA-N
MW438.10 g/mol
LogP5.15
Rot. Bonds6

About N-(4-bromo-2,6-dichlorophenyl)-3-[(2,4-difluorophenyl)methylamino]propanamide

N-(4-bromo-2,6-dichlorophenyl)-3-[(2,4-difluorophenyl)methylamino]propanamide (PubChem CID 69455106) has the molecular formula C16H13BrCl2F2N2O and a molecular weight of 438.10 g/mol. Its IUPAC name is N-(4-bromo-2,6-dichlorophenyl)-3-[(2,4-difluorophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dichlorophenyl)-3-[(2,4-difluorophenyl)methylamino]propanamide
PubChem CID69455106
Molecular FormulaC16H13BrCl2F2N2O
Molecular Weight438.10 g/mol
Exact Mass435.96
IUPAC NameN-(4-bromo-2,6-dichlorophenyl)-3-[(2,4-difluorophenyl)methylamino]propanamide
SMILESO=C(CCNCc1ccc(F)cc1F)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C16H13BrCl2F2N2O/c17-10-5-12(18)16(13(19)6-10)23-15(24)3-4-22-8-9-1-2-11(20)7-14(9)21/h1-2,5-7,22H,3-4,8H2,(H,23,24)
InChIKeyQHKOMLGPAINEIA-UHFFFAOYSA-N
XLogP5.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.10
LogP ≤ 55.15
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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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-3-[(2,4-difluorophenyl)methylamino]propanamide?
The IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-3-[(2,4-difluorophenyl)methylamino]propanamide (CID 69455106) is N-(4-bromo-2,6-dichlorophenyl)-3-[(2,4-difluorophenyl)methylamino]propanamide.
What is the SMILES notation for N-(4-bromo-2,6-dichlorophenyl)-3-[(2,4-difluorophenyl)methylamino]propanamide?
The canonical SMILES for N-(4-bromo-2,6-dichlorophenyl)-3-[(2,4-difluorophenyl)methylamino]propanamide is O=C(CCNCc1ccc(F)cc1F)Nc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2,6-dichlorophenyl)-3-[(2,4-difluorophenyl)methylamino]propanamide?
The InChIKey is QHKOMLGPAINEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2F2N2O/c17-10-5-12(18)16(13(19)6-10)23-15(24)3-4-22-8-9-1-2-11(20)7-14(9)21/h1-2,5-7,22H,3-4,8H2,(H,23,24).
What are the key properties of N-(4-bromo-2,6-dichlorophenyl)-3-[(2,4-difluorophenyl)methylamino]propanamide?
N-(4-bromo-2,6-dichlorophenyl)-3-[(2,4-difluorophenyl)methylamino]propanamide has a molecular weight of 438.10 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dichlorophenyl)-3-[(2,4-difluorophenyl)methylamino]propanamide is sourced from PubChem (CID 69455106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).