N-(6-chloro-4-methylcyclohexa-2,4-dien-1-yl)cyclohexanecarboxamide

C14H20ClNO — CID 163645799

IUPACN-(6-chloro-4-methylcyclohexa-2,4-dien-1-yl)cyclohexanecarboxamide
SMILESCC1=CC(Cl)C(NC(=O)C2CCCCC2)C=C1
InChIInChI=1S/C14H20ClNO/c1-10-7-8-13(12(15)9-10)16-14(17)11-5-3-2-4-6-11/h7-9,11-13H,2-6H2,1H3,(H,16,17)
InChIKeyIICNWPFLTGODMC-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.17
Rot. Bonds2

About N-(6-chloro-4-methylcyclohexa-2,4-dien-1-yl)cyclohexanecarboxamide

N-(6-chloro-4-methylcyclohexa-2,4-dien-1-yl)cyclohexanecarboxamide (PubChem CID 163645799) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-(6-chloro-4-methylcyclohexa-2,4-dien-1-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(6-chloro-4-methylcyclohexa-2,4-dien-1-yl)cyclohexanecarboxamide
PubChem CID163645799
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-(6-chloro-4-methylcyclohexa-2,4-dien-1-yl)cyclohexanecarboxamide
SMILESCC1=CC(Cl)C(NC(=O)C2CCCCC2)C=C1
InChIInChI=1S/C14H20ClNO/c1-10-7-8-13(12(15)9-10)16-14(17)11-5-3-2-4-6-11/h7-9,11-13H,2-6H2,1H3,(H,16,17)
InChIKeyIICNWPFLTGODMC-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-propan-2-yl-2-(3,5,5-trimethylcyclohexen-1-yl)acetamide
CID 19706486
2-chloro-2-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)-N-(2-methylpropyl)acetamide
CID 70518850
4-amino-N-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide
CID 70974460
2,6-dichloro-N-(2-methylcyclohexyl)cyclohexa-2,4-diene-1-carboxamide
CID 138509783
N-[3-[(1Z)-buta-1,3-dienyl]-2-methylcyclohex-2-en-1-yl]-3-methylcyclopentane-1-carboxamide;chloroethane;ethane
CID 145650897
2-(1,5-dichloro-4-cyclohexylcyclohexa-2,4-dien-1-yl)-N-propan-2-ylacetamide
CID 172722862
N-[(3E)-3-ethylideneoct-7-en-2-yl]cyclohexanecarboxamide
CID 142142214

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methylcyclohexa-2,4-dien-1-yl)cyclohexanecarboxamide?
The IUPAC name of N-(6-chloro-4-methylcyclohexa-2,4-dien-1-yl)cyclohexanecarboxamide (CID 163645799) is N-(6-chloro-4-methylcyclohexa-2,4-dien-1-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(6-chloro-4-methylcyclohexa-2,4-dien-1-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(6-chloro-4-methylcyclohexa-2,4-dien-1-yl)cyclohexanecarboxamide is CC1=CC(Cl)C(NC(=O)C2CCCCC2)C=C1.
What is the InChIKey of N-(6-chloro-4-methylcyclohexa-2,4-dien-1-yl)cyclohexanecarboxamide?
The InChIKey is IICNWPFLTGODMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-7-8-13(12(15)9-10)16-14(17)11-5-3-2-4-6-11/h7-9,11-13H,2-6H2,1H3,(H,16,17).
What are the key properties of N-(6-chloro-4-methylcyclohexa-2,4-dien-1-yl)cyclohexanecarboxamide?
N-(6-chloro-4-methylcyclohexa-2,4-dien-1-yl)cyclohexanecarboxamide has a molecular weight of 253.77 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methylcyclohexa-2,4-dien-1-yl)cyclohexanecarboxamide is sourced from PubChem (CID 163645799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).