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

C17H17BrN2O2 — CID 134039227

IUPAC2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C17H17BrN2O2/c1-20(2)17(22)13-9-7-12(8-10-13)11-19-16(21)14-5-3-4-6-15(14)18/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyPNJIJWBPFPXPEU-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.08
Rot. Bonds4

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

2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide (PubChem CID 134039227) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide
PubChem CID134039227
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C17H17BrN2O2/c1-20(2)17(22)13-9-7-12(8-10-13)11-19-16(21)14-5-3-4-6-15(14)18/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyPNJIJWBPFPXPEU-UHFFFAOYSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(difluoromethoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 46422070
2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1150876
2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 46655948
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 134052140
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 46535520
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3,5-difluorobenzamide
CID 134039163
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide
CID 134039269
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide
CID 42006664
2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17231502
2-bromo-N-[[4-(furan-3-yl)phenyl]methyl]benzamide
CID 119103328
2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 26549860
N,N-dimethyl-4-(methylaminomethyl)benzamide
CID 155590632

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide?
The IUPAC name of 2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide (CID 134039227) is 2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide is CN(C)C(=O)c1ccc(CNC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide?
The InChIKey is PNJIJWBPFPXPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-20(2)17(22)13-9-7-12(8-10-13)11-19-16(21)14-5-3-4-6-15(14)18/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of 2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide?
2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide has a molecular weight of 361.24 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 134039227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).