2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide

C15H13Br2NO2 — CID 103882071

IUPAC2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(Br)cc2Br)c1
InChIInChI=1S/C15H13Br2NO2/c1-20-12-4-2-3-10(7-12)9-18-15(19)13-6-5-11(16)8-14(13)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyHHWAKEAAIUHGPU-UHFFFAOYSA-N
MW399.08 g/mol
LogP4.15
Rot. Bonds4

About 2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide

2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 103882071) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is 2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID103882071
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC Name2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(Br)cc2Br)c1
InChIInChI=1S/C15H13Br2NO2/c1-20-12-4-2-3-10(7-12)9-18-15(19)13-6-5-11(16)8-14(13)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyHHWAKEAAIUHGPU-UHFFFAOYSA-N
XLogP4.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.08
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide
CID 107939159
3-bromo-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 106544075
5-amino-2-bromo-4-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 62816468
5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62954224
4-bromo-2-fluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 166179858
2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 110779927
5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 2539105
2-iodo-N-[(3-methoxyphenyl)methyl]benzamide
CID 2468432
4-bromo-2-[(3-methoxyphenyl)methylamino]benzoic acid
CID 114907248
2-bromo-6-chloro-N-[(3-methoxyphenyl)methyl]benzamide
CID 86296545
5-bromo-2-hydrazinyl-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 62237338
3-hydroxy-N-[(3-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 27231686

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of 2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide (CID 103882071) is 2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide is COc1cccc(CNC(=O)c2ccc(Br)cc2Br)c1.
What is the InChIKey of 2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is HHWAKEAAIUHGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c1-20-12-4-2-3-10(7-12)9-18-15(19)13-6-5-11(16)8-14(13)17/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide?
2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 399.08 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 103882071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).