3-bromo-N-[2-(methoxymethyl)phenyl]-4-methylbenzamide

C16H16BrNO2 — CID 79467282

IUPAC3-bromo-N-[2-(methoxymethyl)phenyl]-4-methylbenzamide
SMILESCOCc1ccccc1NC(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C16H16BrNO2/c1-11-7-8-12(9-14(11)17)16(19)18-15-6-4-3-5-13(15)10-20-2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeySEIKGHKFDJCLIP-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.16
Rot. Bonds4

About 3-bromo-N-[2-(methoxymethyl)phenyl]-4-methylbenzamide

3-bromo-N-[2-(methoxymethyl)phenyl]-4-methylbenzamide (PubChem CID 79467282) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 3-bromo-N-[2-(methoxymethyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(methoxymethyl)phenyl]-4-methylbenzamide
PubChem CID79467282
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name3-bromo-N-[2-(methoxymethyl)phenyl]-4-methylbenzamide
SMILESCOCc1ccccc1NC(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C16H16BrNO2/c1-11-7-8-12(9-14(11)17)16(19)18-15-6-4-3-5-13(15)10-20-2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeySEIKGHKFDJCLIP-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide
CID 43701008
3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide
CID 81459743
4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide
CID 102851092
4-bromo-N-(2-ethylphenyl)-3-methylbenzamide
CID 112705717
3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 81472688
N-[2-(ethoxymethyl)phenyl]-3,4-dimethylbenzamide
CID 86821684
3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 2062628
4-amino-3-(methoxymethyl)-N-(2-methylphenyl)benzamide
CID 57264784
3-bromo-4-methyl-N-(2-sulfamoylphenyl)benzamide
CID 81459721
N-(2-ethylphenyl)-3-methoxy-4-methylbenzamide
CID 16620352
3-bromo-N-[2-(1-bromoethyl)phenyl]-4-methylbenzamide
CID 114315561
3-bromo-N-(2-methoxy-3-pyridinyl)-4-methylbenzamide
CID 79467189

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(methoxymethyl)phenyl]-4-methylbenzamide?
The IUPAC name of 3-bromo-N-[2-(methoxymethyl)phenyl]-4-methylbenzamide (CID 79467282) is 3-bromo-N-[2-(methoxymethyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[2-(methoxymethyl)phenyl]-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-[2-(methoxymethyl)phenyl]-4-methylbenzamide is COCc1ccccc1NC(=O)c1ccc(C)c(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(methoxymethyl)phenyl]-4-methylbenzamide?
The InChIKey is SEIKGHKFDJCLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-11-7-8-12(9-14(11)17)16(19)18-15-6-4-3-5-13(15)10-20-2/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 3-bromo-N-[2-(methoxymethyl)phenyl]-4-methylbenzamide?
3-bromo-N-[2-(methoxymethyl)phenyl]-4-methylbenzamide has a molecular weight of 334.21 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(methoxymethyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 79467282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).