N-(2,2-dichloroethenyl)-2-methoxybenzamide

C10H9Cl2NO2 — CID 12837648

IUPACN-(2,2-dichloroethenyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC=C(Cl)Cl
InChIInChI=1S/C10H9Cl2NO2/c1-15-8-5-3-2-4-7(8)10(14)13-6-9(11)12/h2-6H,1H3,(H,13,14)
InChIKeyTUSNQOSKFMSZCT-UHFFFAOYSA-N
MW246.09 g/mol
LogP2.70
Rot. Bonds3

About N-(2,2-dichloroethenyl)-2-methoxybenzamide

N-(2,2-dichloroethenyl)-2-methoxybenzamide (PubChem CID 12837648) has the molecular formula C10H9Cl2NO2 and a molecular weight of 246.09 g/mol. Its IUPAC name is N-(2,2-dichloroethenyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2,2-dichloroethenyl)-2-methoxybenzamide
PubChem CID12837648
Molecular FormulaC10H9Cl2NO2
Molecular Weight246.09 g/mol
Exact Mass245.00
IUPAC NameN-(2,2-dichloroethenyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC=C(Cl)Cl
InChIInChI=1S/C10H9Cl2NO2/c1-15-8-5-3-2-4-7(8)10(14)13-6-9(11)12/h2-6H,1H3,(H,13,14)
InChIKeyTUSNQOSKFMSZCT-UHFFFAOYSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2,2-dichloroethenyl)benzamide
CID 171776552
2-methoxybenzohydrazide
CID 24051
(Z)-but-2-ene;2-methoxy-N-methylbenzamide
CID 144547446
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
3,5-dichloro-N'-(2-methoxybenzoyl)benzohydrazide
CID 17133653
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
2-methoxy-N-prop-2-enylbenzamide
CID 4063222
ethane;methyl 2-methoxybenzoate
CID 178037044
N-(2,2-dichloroethenyl)benzamide
CID 2131512
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
N-(2-acetamidophenyl)-2-methoxybenzamide
CID 113093661

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dichloroethenyl)-2-methoxybenzamide?
The IUPAC name of N-(2,2-dichloroethenyl)-2-methoxybenzamide (CID 12837648) is N-(2,2-dichloroethenyl)-2-methoxybenzamide.
What is the SMILES notation for N-(2,2-dichloroethenyl)-2-methoxybenzamide?
The canonical SMILES for N-(2,2-dichloroethenyl)-2-methoxybenzamide is COc1ccccc1C(=O)NC=C(Cl)Cl.
What is the InChIKey of N-(2,2-dichloroethenyl)-2-methoxybenzamide?
The InChIKey is TUSNQOSKFMSZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO2/c1-15-8-5-3-2-4-7(8)10(14)13-6-9(11)12/h2-6H,1H3,(H,13,14).
What are the key properties of N-(2,2-dichloroethenyl)-2-methoxybenzamide?
N-(2,2-dichloroethenyl)-2-methoxybenzamide has a molecular weight of 246.09 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dichloroethenyl)-2-methoxybenzamide is sourced from PubChem (CID 12837648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).