2,6-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide

C15H13Br2NO2 — CID 100695919

IUPAC2,6-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(CO)c1)c1c(Br)cccc1Br
InChIInChI=1S/C15H13Br2NO2/c16-12-5-2-6-13(17)14(12)15(20)18-8-10-3-1-4-11(7-10)9-19/h1-7,19H,8-9H2,(H,18,20)
InChIKeyUBOGULZBJXMVQN-UHFFFAOYSA-N
MW399.08 g/mol
LogP3.63
Rot. Bonds4

About 2,6-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide

2,6-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide (PubChem CID 100695919) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is 2,6-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,6-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
PubChem CID100695919
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC Name2,6-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(CO)c1)c1c(Br)cccc1Br
InChIInChI=1S/C15H13Br2NO2/c16-12-5-2-6-13(17)14(12)15(20)18-8-10-3-1-4-11(7-10)9-19/h1-7,19H,8-9H2,(H,18,20)
InChIKeyUBOGULZBJXMVQN-UHFFFAOYSA-N
XLogP3.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.08
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311262
4,5-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 55205613
2-bromo-6-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231275
4-bromo-3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 81002022
N-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide
CID 55204470
4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 107216600
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107216595
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311474
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 103756187
4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103796375
2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311480

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 2,6-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide (CID 100695919) is 2,6-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,6-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2,6-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide is O=C(NCc1cccc(CO)c1)c1c(Br)cccc1Br.
What is the InChIKey of 2,6-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The InChIKey is UBOGULZBJXMVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c16-12-5-2-6-13(17)14(12)15(20)18-8-10-3-1-4-11(7-10)9-19/h1-7,19H,8-9H2,(H,18,20).
What are the key properties of 2,6-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
2,6-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide has a molecular weight of 399.08 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 100695919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).