3-bromo-N-[[4-(methoxymethyl)phenyl]methyl]benzamide

C16H16BrNO2 — CID 39271149

IUPAC3-bromo-N-[[4-(methoxymethyl)phenyl]methyl]benzamide
SMILESCOCc1ccc(CNC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C16H16BrNO2/c1-20-11-13-7-5-12(6-8-13)10-18-16(19)14-3-2-4-15(17)9-14/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyCTROQNGIBVWHPE-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.53
Rot. Bonds5

About 3-bromo-N-[[4-(methoxymethyl)phenyl]methyl]benzamide

3-bromo-N-[[4-(methoxymethyl)phenyl]methyl]benzamide (PubChem CID 39271149) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 3-bromo-N-[[4-(methoxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[[4-(methoxymethyl)phenyl]methyl]benzamide
PubChem CID39271149
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name3-bromo-N-[[4-(methoxymethyl)phenyl]methyl]benzamide
SMILESCOCc1ccc(CNC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C16H16BrNO2/c1-20-11-13-7-5-12(6-8-13)10-18-16(19)14-3-2-4-15(17)9-14/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyCTROQNGIBVWHPE-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)benzamide
CID 37358180
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide
CID 7603190
N-ethyl-4-[[[4-(methoxymethyl)benzoyl]amino]methyl]benzamide
CID 86990014
tert-butyl N-[4-[[(3-bromobenzoyl)amino]methyl]phenyl]carbamate
CID 141021076
3-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 25316330
N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide
CID 51176578
3-bromo-N-[(3-sulfamoylphenyl)methyl]benzamide
CID 55641528
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752430
3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 110405123
N-[[4-(methoxymethyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46416010
3-(methoxymethyl)-N-propylbenzamide
CID 60667721
diethyl-[[4-[[[4-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]azanium
CID 8947985

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[4-(methoxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-bromo-N-[[4-(methoxymethyl)phenyl]methyl]benzamide (CID 39271149) is 3-bromo-N-[[4-(methoxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-bromo-N-[[4-(methoxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-bromo-N-[[4-(methoxymethyl)phenyl]methyl]benzamide is COCc1ccc(CNC(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of 3-bromo-N-[[4-(methoxymethyl)phenyl]methyl]benzamide?
The InChIKey is CTROQNGIBVWHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-20-11-13-7-5-12(6-8-13)10-18-16(19)14-3-2-4-15(17)9-14/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 3-bromo-N-[[4-(methoxymethyl)phenyl]methyl]benzamide?
3-bromo-N-[[4-(methoxymethyl)phenyl]methyl]benzamide has a molecular weight of 334.21 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[4-(methoxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 39271149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).