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

C14H8BrClF3NO2 — CID 16613952

IUPACN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1cc(Cl)cc(Br)c1OC(F)F)c1ccc(F)cc1
InChIInChI=1S/C14H8BrClF3NO2/c15-10-5-8(16)6-11(12(10)22-14(18)19)20-13(21)7-1-3-9(17)4-2-7/h1-6,14H,(H,20,21)
InChIKeyWPPNWWAZSLACOM-UHFFFAOYSA-N
MW394.57 g/mol
LogP5.10
Rot. Bonds4

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

N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-fluorobenzamide (PubChem CID 16613952) has the molecular formula C14H8BrClF3NO2 and a molecular weight of 394.57 g/mol. Its IUPAC name is N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-fluorobenzamide
PubChem CID16613952
Molecular FormulaC14H8BrClF3NO2
Molecular Weight394.57 g/mol
Exact Mass392.94
IUPAC NameN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1cc(Cl)cc(Br)c1OC(F)F)c1ccc(F)cc1
InChIInChI=1S/C14H8BrClF3NO2/c15-10-5-8(16)6-11(12(10)22-14(18)19)20-13(21)7-1-3-9(17)4-2-7/h1-6,14H,(H,20,21)
InChIKeyWPPNWWAZSLACOM-UHFFFAOYSA-N
XLogP5.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.57
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-nitrobenzamide
CID 16613954
N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-fluorobenzamide
CID 26159493
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-(methoxymethyl)benzamide
CID 18287143
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,5-dimethoxybenzamide
CID 16613969
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-chloroacetamide
CID 43698111
5-acetyl-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]thiophene-2-carboxamide
CID 18153355
2-bromo-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]propanamide
CID 107903695
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)acetamide
CID 16613982
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide
CID 16613998
3-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanamide
CID 60836516
2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887594

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-fluorobenzamide?
The IUPAC name of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-fluorobenzamide (CID 16613952) is N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-fluorobenzamide is O=C(Nc1cc(Cl)cc(Br)c1OC(F)F)c1ccc(F)cc1.
What is the InChIKey of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-fluorobenzamide?
The InChIKey is WPPNWWAZSLACOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClF3NO2/c15-10-5-8(16)6-11(12(10)22-14(18)19)20-13(21)7-1-3-9(17)4-2-7/h1-6,14H,(H,20,21).
What are the key properties of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-fluorobenzamide?
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-fluorobenzamide has a molecular weight of 394.57 g/mol, XLogP of 5.10, 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-chloro-2-(difluoromethoxy)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 16613952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).