N-(3-bromophenyl)-2-(difluoromethoxy)-3-methoxybenzamide

C15H12BrF2NO3 — CID 51148287

IUPACN-(3-bromophenyl)-2-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cccc(Br)c2)c1OC(F)F
InChIInChI=1S/C15H12BrF2NO3/c1-21-12-7-3-6-11(13(12)22-15(17)18)14(20)19-10-5-2-4-9(16)8-10/h2-8,15H,1H3,(H,19,20)
InChIKeyZYGQQAHITCBHAV-UHFFFAOYSA-N
MW372.17 g/mol
LogP4.31
Rot. Bonds5

About N-(3-bromophenyl)-2-(difluoromethoxy)-3-methoxybenzamide

N-(3-bromophenyl)-2-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 51148287) has the molecular formula C15H12BrF2NO3 and a molecular weight of 372.17 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(difluoromethoxy)-3-methoxybenzamide
PubChem CID51148287
Molecular FormulaC15H12BrF2NO3
Molecular Weight372.17 g/mol
Exact Mass371.00
IUPAC NameN-(3-bromophenyl)-2-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cccc(Br)c2)c1OC(F)F
InChIInChI=1S/C15H12BrF2NO3/c1-21-12-7-3-6-11(13(12)22-15(17)18)14(20)19-10-5-2-4-9(16)8-10/h2-8,15H,1H3,(H,19,20)
InChIKeyZYGQQAHITCBHAV-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

2-(difluoromethoxy)-3-methoxy-N-(3-methylsulfanylphenyl)benzamide
CID 51149413
2-(difluoromethoxy)-N-(3-ethylphenyl)-3-methoxybenzamide
CID 51143865
N-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 46482952
N-(5-acetamido-2-fluorophenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 55551005
2-(difluoromethoxy)-3-methoxy-N-(4-propylphenyl)benzamide
CID 112765648
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide
CID 26901544
2-(difluoromethoxy)-3-methoxy-N-quinolin-3-ylbenzamide
CID 51337639
N-[4-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]phenyl]furan-2-carboxamide
CID 55505645
2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide
CID 112762767
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
N-(5-chloro-2-methylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 51145397
methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate
CID 17414154

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-(3-bromophenyl)-2-(difluoromethoxy)-3-methoxybenzamide (CID 51148287) is N-(3-bromophenyl)-2-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-(3-bromophenyl)-2-(difluoromethoxy)-3-methoxybenzamide is COc1cccc(C(=O)Nc2cccc(Br)c2)c1OC(F)F.
What is the InChIKey of N-(3-bromophenyl)-2-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is ZYGQQAHITCBHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO3/c1-21-12-7-3-6-11(13(12)22-15(17)18)14(20)19-10-5-2-4-9(16)8-10/h2-8,15H,1H3,(H,19,20).
What are the key properties of N-(3-bromophenyl)-2-(difluoromethoxy)-3-methoxybenzamide?
N-(3-bromophenyl)-2-(difluoromethoxy)-3-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)-2-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 51148287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).