N-[[3-(bromomethyl)phenyl]methyl]-2-methylbenzamide

C16H16BrNO — CID 114312955

IUPACN-[[3-(bromomethyl)phenyl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1cccc(CBr)c1
InChIInChI=1S/C16H16BrNO/c1-12-5-2-3-8-15(12)16(19)18-11-14-7-4-6-13(9-14)10-17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyFYCXKYLWTQJUSR-UHFFFAOYSA-N
MW318.21 g/mol
LogP3.82
Rot. Bonds4

About N-[[3-(bromomethyl)phenyl]methyl]-2-methylbenzamide

N-[[3-(bromomethyl)phenyl]methyl]-2-methylbenzamide (PubChem CID 114312955) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is N-[[3-(bromomethyl)phenyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[3-(bromomethyl)phenyl]methyl]-2-methylbenzamide
PubChem CID114312955
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC NameN-[[3-(bromomethyl)phenyl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1cccc(CBr)c1
InChIInChI=1S/C16H16BrNO/c1-12-5-2-3-8-15(12)16(19)18-11-14-7-4-6-13(9-14)10-17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyFYCXKYLWTQJUSR-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 53.82
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

N-[[3-(bromomethyl)phenyl]methyl]-3-chloro-2-methylbenzamide
CID 107100164
2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]benzamide
CID 23824532
2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 94099357
N-[[3-(bromomethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
CID 114313153
2-methyl-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992155
N-[[3-(bromomethyl)phenyl]methyl]-2,6-difluorobenzamide
CID 114313059
N-[[3-(bromomethyl)phenyl]methyl]-3,5-difluorobenzamide
CID 114313062
N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80717878
N-[(4-aminophenyl)methyl]-2-methylbenzamide
CID 60892796
2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80718612
N-[[3-(bromomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107677678
N-[[3-(bromomethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811324

Frequently Asked Questions

What is the IUPAC name of N-[[3-(bromomethyl)phenyl]methyl]-2-methylbenzamide?
The IUPAC name of N-[[3-(bromomethyl)phenyl]methyl]-2-methylbenzamide (CID 114312955) is N-[[3-(bromomethyl)phenyl]methyl]-2-methylbenzamide.
What is the SMILES notation for N-[[3-(bromomethyl)phenyl]methyl]-2-methylbenzamide?
The canonical SMILES for N-[[3-(bromomethyl)phenyl]methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCc1cccc(CBr)c1.
What is the InChIKey of N-[[3-(bromomethyl)phenyl]methyl]-2-methylbenzamide?
The InChIKey is FYCXKYLWTQJUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-12-5-2-3-8-15(12)16(19)18-11-14-7-4-6-13(9-14)10-17/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of N-[[3-(bromomethyl)phenyl]methyl]-2-methylbenzamide?
N-[[3-(bromomethyl)phenyl]methyl]-2-methylbenzamide has a molecular weight of 318.21 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(bromomethyl)phenyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 114312955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).