2,2-dichloro-N-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide

C15H17Cl3N2O2 — CID 19817659

IUPAC2,2-dichloro-N-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCC(=O)NCCc2ccccc2Cl)CC1(Cl)Cl
InChIInChI=1S/C15H17Cl3N2O2/c1-14(9-15(14,17)18)13(22)20-8-12(21)19-7-6-10-4-2-3-5-11(10)16/h2-5H,6-9H2,1H3,(H,19,21)(H,20,22)
InChIKeyQWSIYNKJRIFXCY-UHFFFAOYSA-N
MW363.67 g/mol
LogP2.70
Rot. Bonds6

About 2,2-dichloro-N-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide

2,2-dichloro-N-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 19817659) has the molecular formula C15H17Cl3N2O2 and a molecular weight of 363.67 g/mol. Its IUPAC name is 2,2-dichloro-N-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide
PubChem CID19817659
Molecular FormulaC15H17Cl3N2O2
Molecular Weight363.67 g/mol
Exact Mass362.04
IUPAC Name2,2-dichloro-N-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCC(=O)NCCc2ccccc2Cl)CC1(Cl)Cl
InChIInChI=1S/C15H17Cl3N2O2/c1-14(9-15(14,17)18)13(22)20-8-12(21)19-7-6-10-4-2-3-5-11(10)16/h2-5H,6-9H2,1H3,(H,19,21)(H,20,22)
InChIKeyQWSIYNKJRIFXCY-UHFFFAOYSA-N
XLogP2.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.67
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide
CID 14774534
3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684846
N-[2-(2-chlorophenyl)ethyl]-2-isocyanoacetamide
CID 108814900
(2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684847
2,2-dichloro-1-methyl-N-(2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
CID 42910761
N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide
CID 47448428
4-amino-N-[2-(2-chlorophenyl)ethyl]butanamide;hydrochloride
CID 44818079
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 60595877
N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705416
2-[(2-chlorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 108997926
2-[[N-[2-(2-chlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111882831
2-[[N'-[(2-chlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]-N-propylacetamide;hydroiodide
CID 111175574

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide (CID 19817659) is 2,2-dichloro-N-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NCC(=O)NCCc2ccccc2Cl)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is QWSIYNKJRIFXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl3N2O2/c1-14(9-15(14,17)18)13(22)20-8-12(21)19-7-6-10-4-2-3-5-11(10)16/h2-5H,6-9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2,2-dichloro-N-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 363.67 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 19817659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).