6-chloro-5-fluoro-N-methoxy-N-methylcyclohexa-1,5-diene-1-carboxamide

C9H11ClFNO2 — CID 163538473

IUPAC6-chloro-5-fluoro-N-methoxy-N-methylcyclohexa-1,5-diene-1-carboxamide
SMILESCON(C)C(=O)C1=CCCC(F)=C1Cl
InChIInChI=1S/C9H11ClFNO2/c1-12(14-2)9(13)6-4-3-5-7(11)8(6)10/h4H,3,5H2,1-2H3
InChIKeyDZAKHMYYIOICGO-UHFFFAOYSA-N
MW219.64 g/mol
LogP2.15
Rot. Bonds2

About 6-chloro-5-fluoro-N-methoxy-N-methylcyclohexa-1,5-diene-1-carboxamide

6-chloro-5-fluoro-N-methoxy-N-methylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 163538473) has the molecular formula C9H11ClFNO2 and a molecular weight of 219.64 g/mol. Its IUPAC name is 6-chloro-5-fluoro-N-methoxy-N-methylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name6-chloro-5-fluoro-N-methoxy-N-methylcyclohexa-1,5-diene-1-carboxamide
PubChem CID163538473
Molecular FormulaC9H11ClFNO2
Molecular Weight219.64 g/mol
Exact Mass219.05
IUPAC Name6-chloro-5-fluoro-N-methoxy-N-methylcyclohexa-1,5-diene-1-carboxamide
SMILESCON(C)C(=O)C1=CCCC(F)=C1Cl
InChIInChI=1S/C9H11ClFNO2/c1-12(14-2)9(13)6-4-3-5-7(11)8(6)10/h4H,3,5H2,1-2H3
InChIKeyDZAKHMYYIOICGO-UHFFFAOYSA-N
XLogP2.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.64
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-N-methoxy-N-methylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 6-chloro-5-fluoro-N-methoxy-N-methylcyclohexa-1,5-diene-1-carboxamide (CID 163538473) is 6-chloro-5-fluoro-N-methoxy-N-methylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 6-chloro-5-fluoro-N-methoxy-N-methylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 6-chloro-5-fluoro-N-methoxy-N-methylcyclohexa-1,5-diene-1-carboxamide is CON(C)C(=O)C1=CCCC(F)=C1Cl.
What is the InChIKey of 6-chloro-5-fluoro-N-methoxy-N-methylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is DZAKHMYYIOICGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO2/c1-12(14-2)9(13)6-4-3-5-7(11)8(6)10/h4H,3,5H2,1-2H3.
What are the key properties of 6-chloro-5-fluoro-N-methoxy-N-methylcyclohexa-1,5-diene-1-carboxamide?
6-chloro-5-fluoro-N-methoxy-N-methylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 219.64 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-N-methoxy-N-methylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 163538473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).