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

C18H17ClN2O2 — CID 100782418

IUPAC1-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)cyclopropane-1-carboxamide
SMILESC=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C18H17ClN2O2/c1-2-11-23-16-8-7-15(12-20-16)21-17(22)18(9-10-18)13-3-5-14(19)6-4-13/h2-8,12H,1,9-11H2,(H,21,22)
InChIKeyMSAXNZYHXXQNLL-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.97
Rot. Bonds6

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

1-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 100782418) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)cyclopropane-1-carboxamide
PubChem CID100782418
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name1-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)cyclopropane-1-carboxamide
SMILESC=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C18H17ClN2O2/c1-2-11-23-16-8-7-15(12-20-16)21-17(22)18(9-10-18)13-3-5-14(19)6-4-13/h2-8,12H,1,9-11H2,(H,21,22)
InChIKeyMSAXNZYHXXQNLL-UHFFFAOYSA-N
XLogP3.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.97
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

2-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dihydroindene-2-carboxamide
CID 100781552
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-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide
CID 100782348
1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 99706799
1-(4-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)cyclopentane-1-carboxamide
CID 122301531
1-phenyl-N-(6-propan-2-yloxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 100782315
1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopentane-1-carboxamide
CID 100781422
1-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 2525284
N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100769840
ethyl 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzoate
CID 8885490

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)cyclopropane-1-carboxamide (CID 100782418) is 1-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)cyclopropane-1-carboxamide is C=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cn1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is MSAXNZYHXXQNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-2-11-23-16-8-7-15(12-20-16)21-17(22)18(9-10-18)13-3-5-14(19)6-4-13/h2-8,12H,1,9-11H2,(H,21,22).
What are the key properties of 1-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 100782418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).