N-[4-(bromomethyl)phenyl]-4-methylbenzamide

C15H14BrNO — CID 113274673

IUPACN-[4-(bromomethyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(CBr)cc2)cc1
InChIInChI=1S/C15H14BrNO/c1-11-2-6-13(7-3-11)15(18)17-14-8-4-12(10-16)5-9-14/h2-9H,10H2,1H3,(H,17,18)
InChIKeyPFNFAOGDLNDVHE-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.14
Rot. Bonds3

About N-[4-(bromomethyl)phenyl]-4-methylbenzamide

N-[4-(bromomethyl)phenyl]-4-methylbenzamide (PubChem CID 113274673) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is N-[4-(bromomethyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)phenyl]-4-methylbenzamide
PubChem CID113274673
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC NameN-[4-(bromomethyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(CBr)cc2)cc1
InChIInChI=1S/C15H14BrNO/c1-11-2-6-13(7-3-11)15(18)17-14-8-4-12(10-16)5-9-14/h2-9H,10H2,1H3,(H,17,18)
InChIKeyPFNFAOGDLNDVHE-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632
N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide
CID 114310879
4-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909933
N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
CID 37243297
N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide
CID 28754500
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
N-[4-(bromomethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 113274656
N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-4-methylbenzamide
CID 100591745
N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide
CID 58899047
4-N-(4-ethylphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046969

Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)phenyl]-4-methylbenzamide?
The IUPAC name of N-[4-(bromomethyl)phenyl]-4-methylbenzamide (CID 113274673) is N-[4-(bromomethyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-(bromomethyl)phenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-(bromomethyl)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(CBr)cc2)cc1.
What is the InChIKey of N-[4-(bromomethyl)phenyl]-4-methylbenzamide?
The InChIKey is PFNFAOGDLNDVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-11-2-6-13(7-3-11)15(18)17-14-8-4-12(10-16)5-9-14/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-[4-(bromomethyl)phenyl]-4-methylbenzamide?
N-[4-(bromomethyl)phenyl]-4-methylbenzamide has a molecular weight of 304.19 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bromomethyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 113274673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).