(1S)-2,2-dichloro-N-[2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]ethyl]-1-methylcyclopropane-1-carboxamide

C12H16Cl4N2O2 — CID 7310188

IUPAC(1S)-2,2-dichloro-N-[2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]ethyl]-1-methylcyclopropane-1-carboxamide
SMILESC[C@@]1(C(=O)NCCNC(=O)[C@]2(C)CC2(Cl)Cl)CC1(Cl)Cl
InChIInChI=1S/C12H16Cl4N2O2/c1-9(5-11(9,13)14)7(19)17-3-4-18-8(20)10(2)6-12(10,15)16/h3-6H2,1-2H3,(H,17,19)(H,18,20)/t9-,10-/m0/s1
InChIKeyGEKLHURDRQUBRS-UWVGGRQHSA-N
MW362.08 g/mol
LogP2.39
Rot. Bonds5

About (1S)-2,2-dichloro-N-[2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]ethyl]-1-methylcyclopropane-1-carboxamide

(1S)-2,2-dichloro-N-[2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]ethyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 7310188) has the molecular formula C12H16Cl4N2O2 and a molecular weight of 362.08 g/mol. Its IUPAC name is (1S)-2,2-dichloro-N-[2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]ethyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dichloro-N-[2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]ethyl]-1-methylcyclopropane-1-carboxamide
PubChem CID7310188
Molecular FormulaC12H16Cl4N2O2
Molecular Weight362.08 g/mol
Exact Mass360.00
IUPAC Name(1S)-2,2-dichloro-N-[2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]ethyl]-1-methylcyclopropane-1-carboxamide
SMILESC[C@@]1(C(=O)NCCNC(=O)[C@]2(C)CC2(Cl)Cl)CC1(Cl)Cl
InChIInChI=1S/C12H16Cl4N2O2/c1-9(5-11(9,13)14)7(19)17-3-4-18-8(20)10(2)6-12(10,15)16/h3-6H2,1-2H3,(H,17,19)(H,18,20)/t9-,10-/m0/s1
InChIKeyGEKLHURDRQUBRS-UWVGGRQHSA-N
XLogP2.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.08
LogP ≤ 52.39
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 (1S)-2,2-dichloro-N-[2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]ethyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-dichloro-N-[2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]ethyl]-1-methylcyclopropane-1-carboxamide (CID 7310188) is (1S)-2,2-dichloro-N-[2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]ethyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dichloro-N-[2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]ethyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dichloro-N-[2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]ethyl]-1-methylcyclopropane-1-carboxamide is C[C@@]1(C(=O)NCCNC(=O)[C@]2(C)CC2(Cl)Cl)CC1(Cl)Cl.
What is the InChIKey of (1S)-2,2-dichloro-N-[2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]ethyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is GEKLHURDRQUBRS-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H16Cl4N2O2/c1-9(5-11(9,13)14)7(19)17-3-4-18-8(20)10(2)6-12(10,15)16/h3-6H2,1-2H3,(H,17,19)(H,18,20)/t9-,10-/m0/s1.
What are the key properties of (1S)-2,2-dichloro-N-[2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]ethyl]-1-methylcyclopropane-1-carboxamide?
(1S)-2,2-dichloro-N-[2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]ethyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 362.08 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dichloro-N-[2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]ethyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 7310188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).