2-(4-chlorophenyl)-N-(4-prop-2-enoxynaphthalen-1-yl)-1,3-dihydroindene-2-carboxamide

C29H24ClNO2 — CID 100781562

IUPAC2-(4-chlorophenyl)-N-(4-prop-2-enoxynaphthalen-1-yl)-1,3-dihydroindene-2-carboxamide
SMILESC=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)Cc3ccccc3C2)c2ccccc12
InChIInChI=1S/C29H24ClNO2/c1-2-17-33-27-16-15-26(24-9-5-6-10-25(24)27)31-28(32)29(22-11-13-23(30)14-12-22)18-20-7-3-4-8-21(20)19-29/h2-16H,1,17-19H2,(H,31,32)
InChIKeySNVHVVVXQSKNOU-UHFFFAOYSA-N
MW453.97 g/mol
LogP6.73
Rot. Bonds6

About 2-(4-chlorophenyl)-N-(4-prop-2-enoxynaphthalen-1-yl)-1,3-dihydroindene-2-carboxamide

2-(4-chlorophenyl)-N-(4-prop-2-enoxynaphthalen-1-yl)-1,3-dihydroindene-2-carboxamide (PubChem CID 100781562) has the molecular formula C29H24ClNO2 and a molecular weight of 453.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(4-prop-2-enoxynaphthalen-1-yl)-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(4-prop-2-enoxynaphthalen-1-yl)-1,3-dihydroindene-2-carboxamide
PubChem CID100781562
Molecular FormulaC29H24ClNO2
Molecular Weight453.97 g/mol
Exact Mass453.15
IUPAC Name2-(4-chlorophenyl)-N-(4-prop-2-enoxynaphthalen-1-yl)-1,3-dihydroindene-2-carboxamide
SMILESC=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)Cc3ccccc3C2)c2ccccc12
InChIInChI=1S/C29H24ClNO2/c1-2-17-33-27-16-15-26(24-9-5-6-10-25(24)27)31-28(32)29(22-11-13-23(30)14-12-22)18-20-7-3-4-8-21(20)19-29/h2-16H,1,17-19H2,(H,31,32)
InChIKeySNVHVVVXQSKNOU-UHFFFAOYSA-N
XLogP6.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.97
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopropane-1-carboxamide
CID 100782430
2-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dihydroindene-2-carboxamide
CID 100781552
5-methyl-2-phenyl-N-(4-prop-2-enoxynaphthalen-1-yl)-1,3-dioxane-5-carboxamide
CID 100779046
5-methyl-N-(4-prop-2-enoxynaphthalen-1-yl)-2-thiophen-2-yl-1,3-dioxane-5-carboxamide
CID 100780007
1-(4-chlorophenyl)-N-(8-ethoxyquinolin-5-yl)cyclopentane-1-carboxamide
CID 100770049
N-[4-(2-methylpropoxy)naphthalen-1-yl]-1-phenylcyclopentane-1-carboxamide
CID 100719168
N-(4-methoxynaphthalen-1-yl)-1-phenylcyclopropane-1-carboxamide
CID 100782309
1-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 100782418
N-(4-ethoxynaphthalen-1-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100750314
1-(4-methoxyphenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide
CID 100747706
4-(4-chlorophenyl)-N-(4-prop-2-enoxyphenyl)oxane-4-carboxamide
CID 100781339
2-(4-chloroanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54810176

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(4-prop-2-enoxynaphthalen-1-yl)-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(4-prop-2-enoxynaphthalen-1-yl)-1,3-dihydroindene-2-carboxamide (CID 100781562) is 2-(4-chlorophenyl)-N-(4-prop-2-enoxynaphthalen-1-yl)-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(4-prop-2-enoxynaphthalen-1-yl)-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(4-prop-2-enoxynaphthalen-1-yl)-1,3-dihydroindene-2-carboxamide is C=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)Cc3ccccc3C2)c2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-(4-prop-2-enoxynaphthalen-1-yl)-1,3-dihydroindene-2-carboxamide?
The InChIKey is SNVHVVVXQSKNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClNO2/c1-2-17-33-27-16-15-26(24-9-5-6-10-25(24)27)31-28(32)29(22-11-13-23(30)14-12-22)18-20-7-3-4-8-21(20)19-29/h2-16H,1,17-19H2,(H,31,32).
What are the key properties of 2-(4-chlorophenyl)-N-(4-prop-2-enoxynaphthalen-1-yl)-1,3-dihydroindene-2-carboxamide?
2-(4-chlorophenyl)-N-(4-prop-2-enoxynaphthalen-1-yl)-1,3-dihydroindene-2-carboxamide has a molecular weight of 453.97 g/mol, XLogP of 6.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(4-prop-2-enoxynaphthalen-1-yl)-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 100781562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).