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

C15H13BrClNO2 — CID 81002022

IUPAC4-bromo-3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(CO)c1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H13BrClNO2/c16-13-5-4-12(7-14(13)17)15(20)18-8-10-2-1-3-11(6-10)9-19/h1-7,19H,8-9H2,(H,18,20)
InChIKeyCYSLBGXODBAGIS-UHFFFAOYSA-N
MW354.63 g/mol
LogP3.52
Rot. Bonds4

About 4-bromo-3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide

4-bromo-3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide (PubChem CID 81002022) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
PubChem CID81002022
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name4-bromo-3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(CO)c1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H13BrClNO2/c16-13-5-4-12(7-14(13)17)15(20)18-8-10-2-1-3-11(6-10)9-19/h1-7,19H,8-9H2,(H,18,20)
InChIKeyCYSLBGXODBAGIS-UHFFFAOYSA-N
XLogP3.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-chloro-N-(pyridin-4-ylmethyl)benzamide
CID 80948919
5,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 63311124
4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 107216600
3,4-dihydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103956150
2,6-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 100695919
4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311474
4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103796375
4,5-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 55205613
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311262
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292199
4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 81307450

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-bromo-3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide (CID 81002022) is 4-bromo-3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide is O=C(NCc1cccc(CO)c1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The InChIKey is CYSLBGXODBAGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c16-13-5-4-12(7-14(13)17)15(20)18-8-10-2-1-3-11(6-10)9-19/h1-7,19H,8-9H2,(H,18,20).
What are the key properties of 4-bromo-3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
4-bromo-3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide has a molecular weight of 354.63 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 81002022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).