5-bromo-2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]-4-fluorobenzamide

C14H7BrClF4NO2 — CID 171463789

IUPAC5-bromo-2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(OC(F)F)c(F)c1)c1cc(Br)c(F)cc1Cl
InChIInChI=1S/C14H7BrClF4NO2/c15-8-4-7(9(16)5-10(8)17)13(22)21-6-1-2-12(11(18)3-6)23-14(19)20/h1-5,14H,(H,21,22)
InChIKeyZWAZNZQTDNKTRB-UHFFFAOYSA-N
MW412.56 g/mol
LogP5.23
Rot. Bonds4

About 5-bromo-2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]-4-fluorobenzamide

5-bromo-2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]-4-fluorobenzamide (PubChem CID 171463789) has the molecular formula C14H7BrClF4NO2 and a molecular weight of 412.56 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]-4-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]-4-fluorobenzamide
PubChem CID171463789
Molecular FormulaC14H7BrClF4NO2
Molecular Weight412.56 g/mol
Exact Mass410.93
IUPAC Name5-bromo-2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(OC(F)F)c(F)c1)c1cc(Br)c(F)cc1Cl
InChIInChI=1S/C14H7BrClF4NO2/c15-8-4-7(9(16)5-10(8)17)13(22)21-6-1-2-12(11(18)3-6)23-14(19)20/h1-5,14H,(H,21,22)
InChIKeyZWAZNZQTDNKTRB-UHFFFAOYSA-N
XLogP5.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.56
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-3-fluorophenyl)-2-(difluoromethoxy)benzamide
CID 65436031
5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-2-carboxamide
CID 61061949
N-[4-(difluoromethoxy)-3-fluorophenyl]-2,4-dimethylbenzamide
CID 87025999
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyridine-4-carboxamide
CID 61040886
5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-3-carboxamide
CID 47267877
6-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazine-2-carboxamide
CID 106551160
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide
CID 60807874
2,5-dichloro-N-(3-fluoro-4-methoxyphenyl)-4-methoxybenzamide
CID 167851526
N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide
CID 61062106
2-bromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 47227901
1-bromo-4-chloro-5-(difluoromethoxy)-2-fluorobenzene
CID 75365418
1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea
CID 47261837

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]-4-fluorobenzamide?
The IUPAC name of 5-bromo-2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]-4-fluorobenzamide (CID 171463789) is 5-bromo-2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]-4-fluorobenzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]-4-fluorobenzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]-4-fluorobenzamide is O=C(Nc1ccc(OC(F)F)c(F)c1)c1cc(Br)c(F)cc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]-4-fluorobenzamide?
The InChIKey is ZWAZNZQTDNKTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClF4NO2/c15-8-4-7(9(16)5-10(8)17)13(22)21-6-1-2-12(11(18)3-6)23-14(19)20/h1-5,14H,(H,21,22).
What are the key properties of 5-bromo-2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]-4-fluorobenzamide?
5-bromo-2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]-4-fluorobenzamide has a molecular weight of 412.56 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]-4-fluorobenzamide is sourced from PubChem (CID 171463789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).