N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide

C16H17BrN2O — CID 114310879

IUPACN-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc(CBr)cc2)cc1
InChIInChI=1S/C16H17BrN2O/c1-19(2)15-9-5-13(6-10-15)16(20)18-14-7-3-12(11-17)4-8-14/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyFDVAMMPLZHKMHH-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.90
Rot. Bonds4

About N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide

N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide (PubChem CID 114310879) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide
PubChem CID114310879
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc(CBr)cc2)cc1
InChIInChI=1S/C16H17BrN2O/c1-19(2)15-9-5-13(6-10-15)16(20)18-14-7-3-12(11-17)4-8-14/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyFDVAMMPLZHKMHH-UHFFFAOYSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide
CID 43617033
N-[4-(bromomethyl)phenyl]-4-methylbenzamide
CID 113274673
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride
CID 122527773
4-(dimethylamino)-N-(4-iodophenyl)benzamide
CID 590767
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048526
4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743672
4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide
CID 129035701
1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049739
4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 109047140
N-[4-(dimethylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 110756571

Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide (CID 114310879) is N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)Nc2ccc(CBr)cc2)cc1.
What is the InChIKey of N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide?
The InChIKey is FDVAMMPLZHKMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-19(2)15-9-5-13(6-10-15)16(20)18-14-7-3-12(11-17)4-8-14/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide?
N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide has a molecular weight of 333.23 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 114310879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).