2-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dihydroindene-2-carboxamide

C24H21ClN2O2 — CID 100781552

IUPAC2-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dihydroindene-2-carboxamide
SMILESC=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)Cc3ccccc3C2)cn1
InChIInChI=1S/C24H21ClN2O2/c1-2-13-29-22-12-11-21(16-26-22)27-23(28)24(19-7-9-20(25)10-8-19)14-17-5-3-4-6-18(17)15-24/h2-12,16H,1,13-15H2,(H,27,28)
InChIKeyULWNOGXFANWTCT-UHFFFAOYSA-N
MW404.90 g/mol
LogP4.98
Rot. Bonds6

About 2-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dihydroindene-2-carboxamide

2-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dihydroindene-2-carboxamide (PubChem CID 100781552) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dihydroindene-2-carboxamide
PubChem CID100781552
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC Name2-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dihydroindene-2-carboxamide
SMILESC=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)Cc3ccccc3C2)cn1
InChIInChI=1S/C24H21ClN2O2/c1-2-13-29-22-12-11-21(16-26-22)27-23(28)24(19-7-9-20(25)10-8-19)14-17-5-3-4-6-18(17)15-24/h2-12,16H,1,13-15H2,(H,27,28)
InChIKeyULWNOGXFANWTCT-UHFFFAOYSA-N
XLogP4.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 100782418
2-(4-chlorophenyl)-N-(4-prop-2-enoxynaphthalen-1-yl)-1,3-dihydroindene-2-carboxamide
CID 100781562
1-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]cyclohexane-1-carboxamide
CID 100781335
4-(4-chlorophenyl)-N-(4-prop-2-enoxyphenyl)oxane-4-carboxamide
CID 100781339
1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(6-prop-2-enoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 100780901
1-phenyl-N-(6-propan-2-yloxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 100782315
1-(2-chlorophenyl)-N-(6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771541
1-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 2525284
2-(4-chlorophenyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide
CID 113009343
1-(4-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)cyclopentane-1-carboxamide
CID 122301531
2-(4-chloroanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54810176
1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide
CID 100782348

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dihydroindene-2-carboxamide (CID 100781552) is 2-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dihydroindene-2-carboxamide is C=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)Cc3ccccc3C2)cn1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dihydroindene-2-carboxamide?
The InChIKey is ULWNOGXFANWTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c1-2-13-29-22-12-11-21(16-26-22)27-23(28)24(19-7-9-20(25)10-8-19)14-17-5-3-4-6-18(17)15-24/h2-12,16H,1,13-15H2,(H,27,28).
What are the key properties of 2-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dihydroindene-2-carboxamide?
2-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dihydroindene-2-carboxamide has a molecular weight of 404.90 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 100781552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).