5-chloro-N-methylcyclohexa-2,4-diene-1-carboxamide

C8H10ClNO — CID 129312980

IUPAC5-chloro-N-methylcyclohexa-2,4-diene-1-carboxamide
SMILESCNC(=O)C1C=CC=C(Cl)C1
InChIInChI=1S/C8H10ClNO/c1-10-8(11)6-3-2-4-7(9)5-6/h2-4,6H,5H2,1H3,(H,10,11)
InChIKeyJGZAWYIVZDIKPC-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.43
Rot. Bonds1

About 5-chloro-N-methylcyclohexa-2,4-diene-1-carboxamide

5-chloro-N-methylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 129312980) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 5-chloro-N-methylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methylcyclohexa-2,4-diene-1-carboxamide
PubChem CID129312980
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name5-chloro-N-methylcyclohexa-2,4-diene-1-carboxamide
SMILESCNC(=O)C1C=CC=C(Cl)C1
InChIInChI=1S/C8H10ClNO/c1-10-8(11)6-3-2-4-7(9)5-6/h2-4,6H,5H2,1H3,(H,10,11)
InChIKeyJGZAWYIVZDIKPC-UHFFFAOYSA-N
XLogP1.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 5-chloro-N-methylcyclohexa-2,4-diene-1-carboxamide (CID 129312980) is 5-chloro-N-methylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 5-chloro-N-methylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 5-chloro-N-methylcyclohexa-2,4-diene-1-carboxamide is CNC(=O)C1C=CC=C(Cl)C1.
What is the InChIKey of 5-chloro-N-methylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is JGZAWYIVZDIKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-10-8(11)6-3-2-4-7(9)5-6/h2-4,6H,5H2,1H3,(H,10,11).
What are the key properties of 5-chloro-N-methylcyclohexa-2,4-diene-1-carboxamide?
5-chloro-N-methylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 171.63 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 129312980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).