4-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide

C15H10Cl2N2O2 — CID 103811009

IUPAC4-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)Nc1ccc(C#N)cc1Cl
InChIInChI=1S/C15H10Cl2N2O2/c1-21-14-7-10(16)3-4-11(14)15(20)19-13-5-2-9(8-18)6-12(13)17/h2-7H,1H3,(H,19,20)
InChIKeyZXRDNKGDBHYTLE-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.13
Rot. Bonds3

About 4-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide

4-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide (PubChem CID 103811009) has the molecular formula C15H10Cl2N2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 4-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide
PubChem CID103811009
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.16 g/mol
Exact Mass320.01
IUPAC Name4-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)Nc1ccc(C#N)cc1Cl
InChIInChI=1S/C15H10Cl2N2O2/c1-21-14-7-10(16)3-4-11(14)15(20)19-13-5-2-9(8-18)6-12(13)17/h2-7H,1H3,(H,19,20)
InChIKeyZXRDNKGDBHYTLE-UHFFFAOYSA-N
XLogP4.13
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide
CID 103811217
4-chloro-N-(5-cyano-2-methylphenyl)-2-methoxybenzamide
CID 62059730
2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799731
2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 107806873
N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 814241
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 103799806
N-[2-chloro-4-(trifluoromethoxy)phenyl]-5-cyano-2-methoxybenzamide
CID 23141520
3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide
CID 104849139
3-chloro-N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 107143579
3-amino-N-(2-chloro-4-cyanophenyl)-5-methoxybenzamide
CID 107806880
5-chloro-N-(2-chloro-4-cyanophenyl)pyridine-2-carboxamide
CID 103811024

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide?
The IUPAC name of 4-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide (CID 103811009) is 4-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide.
What is the SMILES notation for 4-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide?
The canonical SMILES for 4-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide is COc1cc(Cl)ccc1C(=O)Nc1ccc(C#N)cc1Cl.
What is the InChIKey of 4-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide?
The InChIKey is ZXRDNKGDBHYTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2/c1-21-14-7-10(16)3-4-11(14)15(20)19-13-5-2-9(8-18)6-12(13)17/h2-7H,1H3,(H,19,20).
What are the key properties of 4-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide?
4-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide has a molecular weight of 321.16 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide is sourced from PubChem (CID 103811009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).