N-[3-bromo-5-(difluoromethoxy)phenyl]formamide

C8H6BrF2NO2 — CID 168653986

IUPACN-[3-bromo-5-(difluoromethoxy)phenyl]formamide
SMILESO=CNc1cc(Br)cc(OC(F)F)c1
InChIInChI=1S/C8H6BrF2NO2/c9-5-1-6(12-4-13)3-7(2-5)14-8(10)11/h1-4,8H,(H,12,13)
InChIKeyHXDDGBDKGGXUJT-UHFFFAOYSA-N
MW266.04 g/mol
LogP2.62
Rot. Bonds4

About N-[3-bromo-5-(difluoromethoxy)phenyl]formamide

N-[3-bromo-5-(difluoromethoxy)phenyl]formamide (PubChem CID 168653986) has the molecular formula C8H6BrF2NO2 and a molecular weight of 266.04 g/mol. Its IUPAC name is N-[3-bromo-5-(difluoromethoxy)phenyl]formamide.

Molecular Properties

Compound NameN-[3-bromo-5-(difluoromethoxy)phenyl]formamide
PubChem CID168653986
Molecular FormulaC8H6BrF2NO2
Molecular Weight266.04 g/mol
Exact Mass264.95
IUPAC NameN-[3-bromo-5-(difluoromethoxy)phenyl]formamide
SMILESO=CNc1cc(Br)cc(OC(F)F)c1
InChIInChI=1S/C8H6BrF2NO2/c9-5-1-6(12-4-13)3-7(2-5)14-8(10)11/h1-4,8H,(H,12,13)
InChIKeyHXDDGBDKGGXUJT-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.04
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-bromo-5-(difluoromethoxy)phenyl]thiourea
CID 169357367
2-bromo-1-[3-bromo-5-(difluoromethoxy)phenyl]propan-1-one
CID 118832442
3-bromo-5-(difluoromethoxy)benzenethiol
CID 121227931
1-bromo-3-(difluoromethoxy)-5-(trifluoromethyl)benzene
CID 75365408
1-bromo-3-tert-butyl-5-(difluoromethoxy)benzene
CID 164739424
N-(3,5-diformamidophenyl)formamide
CID 87263269
1-bromo-3-(difluoromethoxy)-5-methylsulfanylbenzene
CID 121227926
4-(difluoromethoxy)-2,6-dimethylbenzaldehyde
CID 131524664
2-bromo-1,3-dichloro-5-(difluoromethoxy)benzene
CID 171032891
N-[3-(2,2-difluoroethoxy)phenyl]formamide
CID 168653985
5-(difluoromethoxy)-3-hydroxyphthalaldehyde
CID 171027840
N-[3-bromo-5-(difluoromethoxy)phenyl]-2-chloro-9-propan-2-ylpurin-6-amine
CID 176909364

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-(difluoromethoxy)phenyl]formamide?
The IUPAC name of N-[3-bromo-5-(difluoromethoxy)phenyl]formamide (CID 168653986) is N-[3-bromo-5-(difluoromethoxy)phenyl]formamide.
What is the SMILES notation for N-[3-bromo-5-(difluoromethoxy)phenyl]formamide?
The canonical SMILES for N-[3-bromo-5-(difluoromethoxy)phenyl]formamide is O=CNc1cc(Br)cc(OC(F)F)c1.
What is the InChIKey of N-[3-bromo-5-(difluoromethoxy)phenyl]formamide?
The InChIKey is HXDDGBDKGGXUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2NO2/c9-5-1-6(12-4-13)3-7(2-5)14-8(10)11/h1-4,8H,(H,12,13).
What are the key properties of N-[3-bromo-5-(difluoromethoxy)phenyl]formamide?
N-[3-bromo-5-(difluoromethoxy)phenyl]formamide has a molecular weight of 266.04 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-5-(difluoromethoxy)phenyl]formamide is sourced from PubChem (CID 168653986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).