3-bromo-5-chloro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide

C16H15BrClNO2 — CID 103826531

IUPAC3-bromo-5-chloro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
SMILESCOCc1ccccc1CNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H15BrClNO2/c1-21-10-12-5-3-2-4-11(12)9-19-16(20)13-6-14(17)8-15(18)7-13/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyBXQNTIXNARRHOP-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.18
Rot. Bonds5

About 3-bromo-5-chloro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide

3-bromo-5-chloro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide (PubChem CID 103826531) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
PubChem CID103826531
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name3-bromo-5-chloro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
SMILESCOCc1ccccc1CNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H15BrClNO2/c1-21-10-12-5-3-2-4-11(12)9-19-16(20)13-6-14(17)8-15(18)7-13/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyBXQNTIXNARRHOP-UHFFFAOYSA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 32602395
2-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752307
3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide
CID 103909337
3-bromo-5-chloro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 107952730
4-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 32602161
3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]benzamide
CID 107953670
3-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 32602369
3-bromo-5-chloro-N-(2-phenylpropyl)benzamide
CID 107951717
N-[[2-(methoxymethyl)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762844
4-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 60924658
3-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylbenzamide
CID 32604559
6-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 32603914

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide (CID 103826531) is 3-bromo-5-chloro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide is COCc1ccccc1CNC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide?
The InChIKey is BXQNTIXNARRHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-21-10-12-5-3-2-4-11(12)9-19-16(20)13-6-14(17)8-15(18)7-13/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of 3-bromo-5-chloro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide?
3-bromo-5-chloro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide has a molecular weight of 368.66 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 103826531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).