4-cyano-5-methoxy-2-methylbenzamide

C10H10N2O2 — CID 171031371

IUPAC4-cyano-5-methoxy-2-methylbenzamide
SMILESCOc1cc(C(N)=O)c(C)cc1C#N
InChIInChI=1S/C10H10N2O2/c1-6-3-7(5-11)9(14-2)4-8(6)10(12)13/h3-4H,1-2H3,(H2,12,13)
InChIKeyNSYBXBHQKOHKHO-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.97
Rot. Bonds2

About 4-cyano-5-methoxy-2-methylbenzamide

4-cyano-5-methoxy-2-methylbenzamide (PubChem CID 171031371) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-cyano-5-methoxy-2-methylbenzamide.

Molecular Properties

Compound Name4-cyano-5-methoxy-2-methylbenzamide
PubChem CID171031371
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name4-cyano-5-methoxy-2-methylbenzamide
SMILESCOc1cc(C(N)=O)c(C)cc1C#N
InChIInChI=1S/C10H10N2O2/c1-6-3-7(5-11)9(14-2)4-8(6)10(12)13/h3-4H,1-2H3,(H2,12,13)
InChIKeyNSYBXBHQKOHKHO-UHFFFAOYSA-N
XLogP0.97
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-5-methoxy-2-methylbenzamide
CID 168987253
4-amino-2-methoxy-5-methylbenzonitrile
CID 23068192
2-cyano-5-methoxy-4-methylbenzoyl chloride
CID 171027033
3-cyano-6-methoxy-2-methylbenzamide
CID 171026852
2,5-dimethoxy-4-methylbenzamide
CID 82491295
2-cyano-5-formyl-4-methoxybenzamide
CID 171012907
4-cyano-3-methoxybenzoyl chloride
CID 45081742
ethyl 4-cyano-2-formyl-5-methoxybenzoate
CID 134643526
(E)-3-(4-cyano-5-methoxy-2-methylphenyl)prop-2-enoic acid
CID 171026818
2-bromo-4-[2-(4-methoxy-3-methylphenyl)-2-oxoacetyl]benzonitrile
CID 68680087
ethyl 4-cyano-5-methoxy-2-(trifluoromethyl)benzoate
CID 134640970
ethyl 5-cyano-4-methoxy-2-sulfanylbenzoate
CID 134644789

Frequently Asked Questions

What is the IUPAC name of 4-cyano-5-methoxy-2-methylbenzamide?
The IUPAC name of 4-cyano-5-methoxy-2-methylbenzamide (CID 171031371) is 4-cyano-5-methoxy-2-methylbenzamide.
What is the SMILES notation for 4-cyano-5-methoxy-2-methylbenzamide?
The canonical SMILES for 4-cyano-5-methoxy-2-methylbenzamide is COc1cc(C(N)=O)c(C)cc1C#N.
What is the InChIKey of 4-cyano-5-methoxy-2-methylbenzamide?
The InChIKey is NSYBXBHQKOHKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6-3-7(5-11)9(14-2)4-8(6)10(12)13/h3-4H,1-2H3,(H2,12,13).
What are the key properties of 4-cyano-5-methoxy-2-methylbenzamide?
4-cyano-5-methoxy-2-methylbenzamide has a molecular weight of 190.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-5-methoxy-2-methylbenzamide is sourced from PubChem (CID 171031371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).