3-amino-2-formyl-N,6-dimethylbenzamide

C10H12N2O2 — CID 143370207

IUPAC3-amino-2-formyl-N,6-dimethylbenzamide
SMILESCNC(=O)c1c(C)ccc(N)c1C=O
InChIInChI=1S/C10H12N2O2/c1-6-3-4-8(11)7(5-13)9(6)10(14)12-2/h3-5H,11H2,1-2H3,(H,12,14)
InChIKeySRCZFCOPCPIDSO-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.75
Rot. Bonds2

About 3-amino-2-formyl-N,6-dimethylbenzamide

3-amino-2-formyl-N,6-dimethylbenzamide (PubChem CID 143370207) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-amino-2-formyl-N,6-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-2-formyl-N,6-dimethylbenzamide
PubChem CID143370207
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name3-amino-2-formyl-N,6-dimethylbenzamide
SMILESCNC(=O)c1c(C)ccc(N)c1C=O
InChIInChI=1S/C10H12N2O2/c1-6-3-4-8(11)7(5-13)9(6)10(14)12-2/h3-5H,11H2,1-2H3,(H,12,14)
InChIKeySRCZFCOPCPIDSO-UHFFFAOYSA-N
XLogP0.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-formyl-N,6-dimethylbenzamide?
The IUPAC name of 3-amino-2-formyl-N,6-dimethylbenzamide (CID 143370207) is 3-amino-2-formyl-N,6-dimethylbenzamide.
What is the SMILES notation for 3-amino-2-formyl-N,6-dimethylbenzamide?
The canonical SMILES for 3-amino-2-formyl-N,6-dimethylbenzamide is CNC(=O)c1c(C)ccc(N)c1C=O.
What is the InChIKey of 3-amino-2-formyl-N,6-dimethylbenzamide?
The InChIKey is SRCZFCOPCPIDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-6-3-4-8(11)7(5-13)9(6)10(14)12-2/h3-5H,11H2,1-2H3,(H,12,14).
What are the key properties of 3-amino-2-formyl-N,6-dimethylbenzamide?
3-amino-2-formyl-N,6-dimethylbenzamide has a molecular weight of 192.22 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-formyl-N,6-dimethylbenzamide is sourced from PubChem (CID 143370207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).