N-(2-chloro-4-methylidenecyclohexyl)naphthalene-1-carboxamide

C18H18ClNO — CID 91046482

IUPACN-(2-chloro-4-methylidenecyclohexyl)naphthalene-1-carboxamide
SMILESC=C1CCC(NC(=O)c2cccc3ccccc23)C(Cl)C1
InChIInChI=1S/C18H18ClNO/c1-12-9-10-17(16(19)11-12)20-18(21)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,16-17H,1,9-11H2,(H,20,21)
InChIKeyVIJLDFKBDPJHAZ-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.29
Rot. Bonds2

About N-(2-chloro-4-methylidenecyclohexyl)naphthalene-1-carboxamide

N-(2-chloro-4-methylidenecyclohexyl)naphthalene-1-carboxamide (PubChem CID 91046482) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is N-(2-chloro-4-methylidenecyclohexyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylidenecyclohexyl)naphthalene-1-carboxamide
PubChem CID91046482
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC NameN-(2-chloro-4-methylidenecyclohexyl)naphthalene-1-carboxamide
SMILESC=C1CCC(NC(=O)c2cccc3ccccc23)C(Cl)C1
InChIInChI=1S/C18H18ClNO/c1-12-9-10-17(16(19)11-12)20-18(21)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,16-17H,1,9-11H2,(H,20,21)
InChIKeyVIJLDFKBDPJHAZ-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylidenecyclohexyl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-chloro-4-methylidenecyclohexyl)naphthalene-1-carboxamide (CID 91046482) is N-(2-chloro-4-methylidenecyclohexyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylidenecyclohexyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylidenecyclohexyl)naphthalene-1-carboxamide is C=C1CCC(NC(=O)c2cccc3ccccc23)C(Cl)C1.
What is the InChIKey of N-(2-chloro-4-methylidenecyclohexyl)naphthalene-1-carboxamide?
The InChIKey is VIJLDFKBDPJHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-12-9-10-17(16(19)11-12)20-18(21)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,16-17H,1,9-11H2,(H,20,21).
What are the key properties of N-(2-chloro-4-methylidenecyclohexyl)naphthalene-1-carboxamide?
N-(2-chloro-4-methylidenecyclohexyl)naphthalene-1-carboxamide has a molecular weight of 299.80 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylidenecyclohexyl)naphthalene-1-carboxamide is sourced from PubChem (CID 91046482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).