2,4-dichloro-N-(1-cyanopropan-2-yl)-6-hydroxybenzamide

C11H10Cl2N2O2 — CID 75424748

IUPAC2,4-dichloro-N-(1-cyanopropan-2-yl)-6-hydroxybenzamide
SMILESCC(CC#N)NC(=O)c1c(O)cc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2O2/c1-6(2-3-14)15-11(17)10-8(13)4-7(12)5-9(10)16/h4-6,16H,2H2,1H3,(H,15,17)
InChIKeyIRAMFPJJQJPNRT-UHFFFAOYSA-N
MW273.12 g/mol
LogP2.73
Rot. Bonds3

About 2,4-dichloro-N-(1-cyanopropan-2-yl)-6-hydroxybenzamide

2,4-dichloro-N-(1-cyanopropan-2-yl)-6-hydroxybenzamide (PubChem CID 75424748) has the molecular formula C11H10Cl2N2O2 and a molecular weight of 273.12 g/mol. Its IUPAC name is 2,4-dichloro-N-(1-cyanopropan-2-yl)-6-hydroxybenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(1-cyanopropan-2-yl)-6-hydroxybenzamide
PubChem CID75424748
Molecular FormulaC11H10Cl2N2O2
Molecular Weight273.12 g/mol
Exact Mass272.01
IUPAC Name2,4-dichloro-N-(1-cyanopropan-2-yl)-6-hydroxybenzamide
SMILESCC(CC#N)NC(=O)c1c(O)cc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2O2/c1-6(2-3-14)15-11(17)10-8(13)4-7(12)5-9(10)16/h4-6,16H,2H2,1H3,(H,15,17)
InChIKeyIRAMFPJJQJPNRT-UHFFFAOYSA-N
XLogP2.73
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-6-hydroxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 96525639
2,4-dichloro-6-hydroxy-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 97234757
2,4-dichloro-6-hydroxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 97234758
2,4-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-hydroxybenzamide
CID 71860642
N-(1-cyanopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 104917326
5-chloro-N-(1-cyanopropan-2-yl)-2-fluorobenzamide
CID 62090270
N-(1-cyanopropan-2-yl)-3,4-dihydroxybenzamide
CID 103956790
4-chloro-N-(1-cyanopropan-2-yl)pyridine-3-carboxamide
CID 81226543
4-bromo-N-(1-cyanopropan-2-yl)-3-hydroxybenzamide
CID 103872840
N-(1-cyanopropan-2-yl)pyridine-2-carboxamide
CID 62090992
5-bromo-N-(1-cyanopropan-2-yl)-2-fluorobenzamide
CID 55135191
2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)acetamide
CID 55209733

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(1-cyanopropan-2-yl)-6-hydroxybenzamide?
The IUPAC name of 2,4-dichloro-N-(1-cyanopropan-2-yl)-6-hydroxybenzamide (CID 75424748) is 2,4-dichloro-N-(1-cyanopropan-2-yl)-6-hydroxybenzamide.
What is the SMILES notation for 2,4-dichloro-N-(1-cyanopropan-2-yl)-6-hydroxybenzamide?
The canonical SMILES for 2,4-dichloro-N-(1-cyanopropan-2-yl)-6-hydroxybenzamide is CC(CC#N)NC(=O)c1c(O)cc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(1-cyanopropan-2-yl)-6-hydroxybenzamide?
The InChIKey is IRAMFPJJQJPNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2/c1-6(2-3-14)15-11(17)10-8(13)4-7(12)5-9(10)16/h4-6,16H,2H2,1H3,(H,15,17).
What are the key properties of 2,4-dichloro-N-(1-cyanopropan-2-yl)-6-hydroxybenzamide?
2,4-dichloro-N-(1-cyanopropan-2-yl)-6-hydroxybenzamide has a molecular weight of 273.12 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(1-cyanopropan-2-yl)-6-hydroxybenzamide is sourced from PubChem (CID 75424748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).