2-(3-bromophenoxy)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide

C17H15BrF2N2O3 — CID 7937038

IUPAC2-(3-bromophenoxy)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1cccc(Br)c1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H15BrF2N2O3/c1-11(12-5-7-14(8-6-12)25-17(19)20)21-22-16(23)10-24-15-4-2-3-13(18)9-15/h2-9,17H,10H2,1H3,(H,22,23)/b21-11-
InChIKeyQCEMGYOYAXKMAH-NHDPSOOVSA-N
MW413.22 g/mol
LogP3.97
Rot. Bonds7

About 2-(3-bromophenoxy)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide

2-(3-bromophenoxy)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide (PubChem CID 7937038) has the molecular formula C17H15BrF2N2O3 and a molecular weight of 413.22 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide
PubChem CID7937038
Molecular FormulaC17H15BrF2N2O3
Molecular Weight413.22 g/mol
Exact Mass412.02
IUPAC Name2-(3-bromophenoxy)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1cccc(Br)c1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H15BrF2N2O3/c1-11(12-5-7-14(8-6-12)25-17(19)20)21-22-16(23)10-24-15-4-2-3-13(18)9-15/h2-9,17H,10H2,1H3,(H,22,23)/b21-11-
InChIKeyQCEMGYOYAXKMAH-NHDPSOOVSA-N
XLogP3.97
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.22
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9241955
2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 1124773
2-(3-bromophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 1039793
2-(3-bromophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide
CID 6272149
N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4001401
N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5174343
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 968545
2-(3-bromophenoxy)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide
CID 135775219
2-[4-[(Z)-N-[[2-(3-fluorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
CID 9240177
2-(3-bromophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
CID 9059627
2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide
CID 6920998
2-(3-chlorophenoxy)-N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 683722

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide (CID 7937038) is 2-(3-bromophenoxy)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide is C/C(=N/NC(=O)COc1cccc(Br)c1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-(3-bromophenoxy)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide?
The InChIKey is QCEMGYOYAXKMAH-NHDPSOOVSA-N. The full InChI is InChI=1S/C17H15BrF2N2O3/c1-11(12-5-7-14(8-6-12)25-17(19)20)21-22-16(23)10-24-15-4-2-3-13(18)9-15/h2-9,17H,10H2,1H3,(H,22,23)/b21-11-.
What are the key properties of 2-(3-bromophenoxy)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide?
2-(3-bromophenoxy)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide has a molecular weight of 413.22 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide is sourced from PubChem (CID 7937038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).