2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide

C15H14BrNO2 — CID 63311262

IUPAC2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(CO)c1)c1ccccc1Br
InChIInChI=1S/C15H14BrNO2/c16-14-7-2-1-6-13(14)15(19)17-9-11-4-3-5-12(8-11)10-18/h1-8,18H,9-10H2,(H,17,19)
InChIKeyIERWEEFTTKLAKK-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.87
Rot. Bonds4

About 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide

2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide (PubChem CID 63311262) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
PubChem CID63311262
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(CO)c1)c1ccccc1Br
InChIInChI=1S/C15H14BrNO2/c16-14-7-2-1-6-13(14)15(19)17-9-11-4-3-5-12(8-11)10-18/h1-8,18H,9-10H2,(H,17,19)
InChIKeyIERWEEFTTKLAKK-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 100695919
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 103756187
4,5-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 55205613
2-amino-5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 107210212
4-bromo-3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 81002022
2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide
CID 107939159
2,3,4-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 79755129
2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311480
N-[[3-(hydroxymethyl)phenyl]methyl]quinoxaline-5-carboxamide
CID 131903322
N-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide
CID 55204470
4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 107216600
2-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylbenzamide
CID 63311354

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide (CID 63311262) is 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide is O=C(NCc1cccc(CO)c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The InChIKey is IERWEEFTTKLAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c16-14-7-2-1-6-13(14)15(19)17-9-11-4-3-5-12(8-11)10-18/h1-8,18H,9-10H2,(H,17,19).
What are the key properties of 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide has a molecular weight of 320.19 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 63311262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).