4-bromo-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide

C15H20BrNO3 — CID 115701402

IUPAC4-bromo-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1(CO)CCCCC1)c1ccc(Br)cc1O
InChIInChI=1S/C15H20BrNO3/c16-11-4-5-12(13(19)8-11)14(20)17-9-15(10-18)6-2-1-3-7-15/h4-5,8,18-19H,1-3,6-7,9-10H2,(H,17,20)
InChIKeyDPUQTWVPIUTTLH-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.83
Rot. Bonds4

About 4-bromo-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide

4-bromo-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide (PubChem CID 115701402) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
PubChem CID115701402
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name4-bromo-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1(CO)CCCCC1)c1ccc(Br)cc1O
InChIInChI=1S/C15H20BrNO3/c16-11-4-5-12(13(19)8-11)14(20)17-9-15(10-18)6-2-1-3-7-15/h4-5,8,18-19H,1-3,6-7,9-10H2,(H,17,20)
InChIKeyDPUQTWVPIUTTLH-UHFFFAOYSA-N
XLogP2.83
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103967454
4-fluoro-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103830141
5-bromo-2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 110631551
5-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
CID 113294009
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 115701396
2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
CID 107941343
4-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
CID 103925334
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-iodobenzamide
CID 107732018
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115883921
2,4-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 107941305
2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103965171
2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103890643

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide (CID 115701402) is 4-bromo-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide is O=C(NCC1(CO)CCCCC1)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
The InChIKey is DPUQTWVPIUTTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c16-11-4-5-12(13(19)8-11)14(20)17-9-15(10-18)6-2-1-3-7-15/h4-5,8,18-19H,1-3,6-7,9-10H2,(H,17,20).
What are the key properties of 4-bromo-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
4-bromo-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide has a molecular weight of 342.23 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 115701402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).