N-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide

C15H12BrF2NO3 — CID 46482952

IUPACN-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1OC(F)F
InChIInChI=1S/C15H12BrF2NO3/c1-21-12-6-5-9(7-13(12)22-15(17)18)14(20)19-11-4-2-3-10(16)8-11/h2-8,15H,1H3,(H,19,20)
InChIKeyZGDOBDFECOBWKL-UHFFFAOYSA-N
MW372.17 g/mol
LogP4.31
Rot. Bonds5

About N-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide

N-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide (PubChem CID 46482952) has the molecular formula C15H12BrF2NO3 and a molecular weight of 372.17 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
PubChem CID46482952
Molecular FormulaC15H12BrF2NO3
Molecular Weight372.17 g/mol
Exact Mass371.00
IUPAC NameN-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1OC(F)F
InChIInChI=1S/C15H12BrF2NO3/c1-21-12-6-5-9(7-13(12)22-15(17)18)14(20)19-11-4-2-3-10(16)8-11/h2-8,15H,1H3,(H,19,20)
InChIKeyZGDOBDFECOBWKL-UHFFFAOYSA-N
XLogP4.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.17
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide
CID 26687629
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
N'-[2-(3-bromophenoxy)propanoyl]-3-(difluoromethoxy)-4-methoxybenzohydrazide
CID 55738119
methyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate
CID 55727946
N-(3-bromophenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 51148287
3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 38082386
N-(3-bromophenyl)-4-methoxy-3-methylsulfonylbenzamide
CID 110425977
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46438663
4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
CID 3461577
N-[4-(tert-butylcarbamoyl)phenyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55762006
N-(3-bromophenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 40742194
N-(4-chloro-3-cyanophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 55758526

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide?
The IUPAC name of N-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide (CID 46482952) is N-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide.
What is the SMILES notation for N-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide?
The canonical SMILES for N-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(Br)c2)cc1OC(F)F.
What is the InChIKey of N-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide?
The InChIKey is ZGDOBDFECOBWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO3/c1-21-12-6-5-9(7-13(12)22-15(17)18)14(20)19-11-4-2-3-10(16)8-11/h2-8,15H,1H3,(H,19,20).
What are the key properties of N-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide?
N-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide has a molecular weight of 372.17 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide is sourced from PubChem (CID 46482952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).