N-(2,2-dichloroethenyl)-2-hydroxy-3-methylbenzamide

C10H9Cl2NO2 — CID 12837651

IUPACN-(2,2-dichloroethenyl)-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NC=C(Cl)Cl)c1O
InChIInChI=1S/C10H9Cl2NO2/c1-6-3-2-4-7(9(6)14)10(15)13-5-8(11)12/h2-5,14H,1H3,(H,13,15)
InChIKeyXLPZQYLHWCMBIF-UHFFFAOYSA-N
MW246.09 g/mol
LogP2.71
Rot. Bonds2

About N-(2,2-dichloroethenyl)-2-hydroxy-3-methylbenzamide

N-(2,2-dichloroethenyl)-2-hydroxy-3-methylbenzamide (PubChem CID 12837651) has the molecular formula C10H9Cl2NO2 and a molecular weight of 246.09 g/mol. Its IUPAC name is N-(2,2-dichloroethenyl)-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(2,2-dichloroethenyl)-2-hydroxy-3-methylbenzamide
PubChem CID12837651
Molecular FormulaC10H9Cl2NO2
Molecular Weight246.09 g/mol
Exact Mass245.00
IUPAC NameN-(2,2-dichloroethenyl)-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NC=C(Cl)Cl)c1O
InChIInChI=1S/C10H9Cl2NO2/c1-6-3-2-4-7(9(6)14)10(15)13-5-8(11)12/h2-5,14H,1H3,(H,13,15)
InChIKeyXLPZQYLHWCMBIF-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dichloroethenyl)-2-methoxybenzamide
CID 12837648
N-[(E)-ethylideneamino]-2-hydroxy-3-methylbenzamide
CID 20646050
2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide
CID 114504231
hydrogen peroxide;2-hydroxy-3-methylbenzoic acid
CID 161037568
N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-3-methylbenzamide
CID 115365600
N-[[4-(chloromethyl)phenyl]methyl]-2-hydroxy-3-methylbenzamide
CID 107233515
2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid
CID 24709135
N-butan-2-yl-2-hydroxy-3-methylbenzamide
CID 43176510
carbonic acid;bis(2-hydroxy-3-methylbenzoic acid)
CID 66629599
N-(2,2-dichloroethenyl)-4-methylbenzamide
CID 651612
N-cyclobutyl-2-hydroxy-3-methylbenzamide
CID 62416564
N-cyclopent-3-en-1-yl-2-hydroxy-3-methylbenzamide
CID 115696804

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dichloroethenyl)-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-(2,2-dichloroethenyl)-2-hydroxy-3-methylbenzamide (CID 12837651) is N-(2,2-dichloroethenyl)-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(2,2-dichloroethenyl)-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(2,2-dichloroethenyl)-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)NC=C(Cl)Cl)c1O.
What is the InChIKey of N-(2,2-dichloroethenyl)-2-hydroxy-3-methylbenzamide?
The InChIKey is XLPZQYLHWCMBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO2/c1-6-3-2-4-7(9(6)14)10(15)13-5-8(11)12/h2-5,14H,1H3,(H,13,15).
What are the key properties of N-(2,2-dichloroethenyl)-2-hydroxy-3-methylbenzamide?
N-(2,2-dichloroethenyl)-2-hydroxy-3-methylbenzamide has a molecular weight of 246.09 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dichloroethenyl)-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 12837651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).