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

C14H9BrClF2NO2 — CID 107951563

IUPAC3-bromo-5-chloro-N-[4-(difluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H9BrClF2NO2/c15-9-5-8(6-10(16)7-9)13(20)19-11-1-3-12(4-2-11)21-14(17)18/h1-7,14H,(H,19,20)
InChIKeyWCUUUFJXJBIIQJ-UHFFFAOYSA-N
MW376.58 g/mol
LogP4.96
Rot. Bonds4

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

3-bromo-5-chloro-N-[4-(difluoromethoxy)phenyl]benzamide (PubChem CID 107951563) has the molecular formula C14H9BrClF2NO2 and a molecular weight of 376.58 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[4-(difluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[4-(difluoromethoxy)phenyl]benzamide
PubChem CID107951563
Molecular FormulaC14H9BrClF2NO2
Molecular Weight376.58 g/mol
Exact Mass374.95
IUPAC Name3-bromo-5-chloro-N-[4-(difluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H9BrClF2NO2/c15-9-5-8(6-10(16)7-9)13(20)19-11-1-3-12(4-2-11)21-14(17)18/h1-7,14H,(H,19,20)
InChIKeyWCUUUFJXJBIIQJ-UHFFFAOYSA-N
XLogP4.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.58
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-N-(4-ethylphenyl)benzamide
CID 107951503
3-amino-4-bromo-N-[4-(difluoromethoxy)phenyl]benzamide
CID 61093967
3-bromo-5-chloro-N-naphthalen-2-ylbenzamide
CID 107951653
3-bromo-5-chloro-N-(4-methylsulfanylphenyl)benzamide
CID 107951427
3-amino-4-chloro-N-[4-(difluoromethoxy)phenyl]benzamide
CID 43328663
2-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-4-carboxamide
CID 103751880
5-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62953190
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852
3-bromo-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107953792
4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide
CID 26027108
5-[(3-bromo-5-chlorobenzoyl)amino]-2-chlorobenzoic acid
CID 107937795

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[4-(difluoromethoxy)phenyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[4-(difluoromethoxy)phenyl]benzamide (CID 107951563) is 3-bromo-5-chloro-N-[4-(difluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[4-(difluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[4-(difluoromethoxy)phenyl]benzamide is O=C(Nc1ccc(OC(F)F)cc1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-[4-(difluoromethoxy)phenyl]benzamide?
The InChIKey is WCUUUFJXJBIIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF2NO2/c15-9-5-8(6-10(16)7-9)13(20)19-11-1-3-12(4-2-11)21-14(17)18/h1-7,14H,(H,19,20).
What are the key properties of 3-bromo-5-chloro-N-[4-(difluoromethoxy)phenyl]benzamide?
3-bromo-5-chloro-N-[4-(difluoromethoxy)phenyl]benzamide has a molecular weight of 376.58 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[4-(difluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 107951563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).