3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide

C15H10Cl2N2O2 — CID 104849139

IUPAC3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H10Cl2N2O2/c1-21-14-4-9(8-18)2-3-13(14)19-15(20)10-5-11(16)7-12(17)6-10/h2-7H,1H3,(H,19,20)
InChIKeyBPJBQYOIEPVKBV-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.13
Rot. Bonds3

About 3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide

3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide (PubChem CID 104849139) has the molecular formula C15H10Cl2N2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide
PubChem CID104849139
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.16 g/mol
Exact Mass320.01
IUPAC Name3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H10Cl2N2O2/c1-21-14-4-9(8-18)2-3-13(14)19-15(20)10-5-11(16)7-12(17)6-10/h2-7H,1H3,(H,19,20)
InChIKeyBPJBQYOIEPVKBV-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

2-chloro-N-(4-cyano-2-methoxyphenyl)-6-methylpyridine-4-carboxamide
CID 104848528
N-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide
CID 104848992
N-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide
CID 113460384
N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide
CID 104850045
3-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
CID 104854951
4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide
CID 104847820
5-bromo-N-(4-cyano-2-methoxyphenyl)pyridine-3-carboxamide
CID 104849115
N-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 104850047
N-(4-cyano-2-methoxyphenyl)-2,3-dihydroxybenzamide
CID 114343595
2-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
CID 104848994
3-(4-cyano-2-methoxyanilino)-3-oxopropanoic acid
CID 104850039
N-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide
CID 113460379

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide?
The IUPAC name of 3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide (CID 104849139) is 3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide is COc1cc(C#N)ccc1NC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide?
The InChIKey is BPJBQYOIEPVKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2/c1-21-14-4-9(8-18)2-3-13(14)19-15(20)10-5-11(16)7-12(17)6-10/h2-7H,1H3,(H,19,20).
What are the key properties of 3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide?
3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide 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 3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide is sourced from PubChem (CID 104849139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).