4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide

C16H16BrNO2 — CID 102851092

IUPAC4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide
SMILESCOCc1ccccc1NC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C16H16BrNO2/c1-20-11-14-4-2-3-5-15(14)18-16(19)13-8-6-12(10-17)7-9-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyOKDQOMWZTLGBII-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.98
Rot. Bonds5

About 4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide

4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide (PubChem CID 102851092) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide
PubChem CID102851092
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide
SMILESCOCc1ccccc1NC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C16H16BrNO2/c1-20-11-14-4-2-3-5-15(14)18-16(19)13-8-6-12(10-17)7-9-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyOKDQOMWZTLGBII-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.98
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-(bromomethyl)-N-[2-(2-methoxyethyl)phenyl]benzamide
CID 102904751
4-(bromomethyl)-N-(2-propylphenyl)benzamide
CID 102851108
4-amino-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide
CID 43701008
3-bromo-N-[2-(methoxymethyl)phenyl]-4-methylbenzamide
CID 79467282
2-[[4-(bromomethyl)benzoyl]amino]benzamide
CID 102850971
N-[2-(methoxymethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 61273892
4-(1,3-dithian-2-yl)-N-[2-(methoxymethyl)phenyl]benzamide
CID 86990667
4-(4-bromopyrazol-1-yl)-N-[2-(methoxymethyl)phenyl]benzamide
CID 55780337
4-(bromomethyl)-N-(2-propoxyphenyl)benzamide
CID 102851101
tert-butyl N-ethyl-N-[[2-[[4-(methoxymethyl)benzoyl]amino]phenyl]methyl]carbamate
CID 55700705
1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115
6-(ethylamino)-N-[2-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 62177976

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide?
The IUPAC name of 4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide (CID 102851092) is 4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide?
The canonical SMILES for 4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide is COCc1ccccc1NC(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide?
The InChIKey is OKDQOMWZTLGBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-20-11-14-4-2-3-5-15(14)18-16(19)13-8-6-12(10-17)7-9-13/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide?
4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide has a molecular weight of 334.21 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 4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide is sourced from PubChem (CID 102851092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).