2,2-dichloro-N-[9-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]nonyl]-1-methylcyclopropane-1-carboxamide

C19H30Cl4N2O2 — CID 4083493

IUPAC2,2-dichloro-N-[9-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]nonyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCCCCCCCCCNC(=O)C2(C)CC2(Cl)Cl)CC1(Cl)Cl
InChIInChI=1S/C19H30Cl4N2O2/c1-16(12-18(16,20)21)14(26)24-10-8-6-4-3-5-7-9-11-25-15(27)17(2)13-19(17,22)23/h3-13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyMQYFVUPOBYAPOW-UHFFFAOYSA-N
MW460.27 g/mol
LogP5.12
Rot. Bonds12

About 2,2-dichloro-N-[9-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]nonyl]-1-methylcyclopropane-1-carboxamide

2,2-dichloro-N-[9-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]nonyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 4083493) has the molecular formula C19H30Cl4N2O2 and a molecular weight of 460.27 g/mol. Its IUPAC name is 2,2-dichloro-N-[9-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]nonyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[9-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]nonyl]-1-methylcyclopropane-1-carboxamide
PubChem CID4083493
Molecular FormulaC19H30Cl4N2O2
Molecular Weight460.27 g/mol
Exact Mass458.11
IUPAC Name2,2-dichloro-N-[9-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]nonyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCCCCCCCCCNC(=O)C2(C)CC2(Cl)Cl)CC1(Cl)Cl
InChIInChI=1S/C19H30Cl4N2O2/c1-16(12-18(16,20)21)14(26)24-10-8-6-4-3-5-7-9-11-25-15(27)17(2)13-19(17,22)23/h3-13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyMQYFVUPOBYAPOW-UHFFFAOYSA-N
XLogP5.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.27
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[9-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]nonyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[9-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]nonyl]-1-methylcyclopropane-1-carboxamide (CID 4083493) is 2,2-dichloro-N-[9-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]nonyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[9-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]nonyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[9-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]nonyl]-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NCCCCCCCCCNC(=O)C2(C)CC2(Cl)Cl)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[9-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]nonyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is MQYFVUPOBYAPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30Cl4N2O2/c1-16(12-18(16,20)21)14(26)24-10-8-6-4-3-5-7-9-11-25-15(27)17(2)13-19(17,22)23/h3-13H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 2,2-dichloro-N-[9-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]nonyl]-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-[9-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]nonyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 460.27 g/mol, XLogP of 5.12, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[9-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]nonyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 4083493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).