2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide

C15H12BrF2NO2 — CID 42006664

IUPAC2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(OC(F)F)cc1)c1ccccc1Br
InChIInChI=1S/C15H12BrF2NO2/c16-13-4-2-1-3-12(13)14(20)19-9-10-5-7-11(8-6-10)21-15(17)18/h1-8,15H,9H2,(H,19,20)
InChIKeyVRBUMAYGTYYYEG-UHFFFAOYSA-N
MW356.17 g/mol
LogP3.98
Rot. Bonds5

About 2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide

2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide (PubChem CID 42006664) has the molecular formula C15H12BrF2NO2 and a molecular weight of 356.17 g/mol. Its IUPAC name is 2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide
PubChem CID42006664
Molecular FormulaC15H12BrF2NO2
Molecular Weight356.17 g/mol
Exact Mass355.00
IUPAC Name2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(OC(F)F)cc1)c1ccccc1Br
InChIInChI=1S/C15H12BrF2NO2/c16-13-4-2-1-3-12(13)14(20)19-9-10-5-7-11(8-6-10)21-15(17)18/h1-8,15H,9H2,(H,19,20)
InChIKeyVRBUMAYGTYYYEG-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 107518753
2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide
CID 39047207
N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463
2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 26549860
N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide
CID 42007122
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenyl)acetamide
CID 51181469
N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indazole-7-carboxamide
CID 43048623
2-bromo-N-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]benzamide
CID 9016538
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1150876
2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 134039227
3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 103975255

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide (CID 42006664) is 2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide is O=C(NCc1ccc(OC(F)F)cc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is VRBUMAYGTYYYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO2/c16-13-4-2-1-3-12(13)14(20)19-9-10-5-7-11(8-6-10)21-15(17)18/h1-8,15H,9H2,(H,19,20).
What are the key properties of 2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide?
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 356.17 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 42006664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).