2-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide

C17H18BrNO4 — CID 46591375

IUPAC2-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2Br)c(OC)c1OC
InChIInChI=1S/C17H18BrNO4/c1-21-14-9-8-11(15(22-2)16(14)23-3)10-19-17(20)12-6-4-5-7-13(12)18/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyGNNAZUBZNSRIMQ-UHFFFAOYSA-N
MW380.24 g/mol
LogP3.40
Rot. Bonds6

About 2-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide

2-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide (PubChem CID 46591375) has the molecular formula C17H18BrNO4 and a molecular weight of 380.24 g/mol. Its IUPAC name is 2-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
PubChem CID46591375
Molecular FormulaC17H18BrNO4
Molecular Weight380.24 g/mol
Exact Mass379.04
IUPAC Name2-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2Br)c(OC)c1OC
InChIInChI=1S/C17H18BrNO4/c1-21-14-9-8-11(15(22-2)16(14)23-3)10-19-17(20)12-6-4-5-7-13(12)18/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyGNNAZUBZNSRIMQ-UHFFFAOYSA-N
XLogP3.40
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 2993752
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 46590604
2-bromo-5-chloro-N-[(2,3-dimethoxyphenyl)methyl]benzamide
CID 78851822
N-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9079447
5-chloro-N-[(2,3,4-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 86925580
3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 46587581
N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide
CID 17068329
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9090600
2,2,2-trichloro-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 67538566
2-(2-methylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 94043014

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of 2-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide (CID 46591375) is 2-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccccc2Br)c(OC)c1OC.
What is the InChIKey of 2-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide?
The InChIKey is GNNAZUBZNSRIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO4/c1-21-14-9-8-11(15(22-2)16(14)23-3)10-19-17(20)12-6-4-5-7-13(12)18/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of 2-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide?
2-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide has a molecular weight of 380.24 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 46591375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).