N-(2-anilino-2-oxoethyl)-2,2-dichloro-N-(furan-2-ylmethyl)-1-methylcyclopropane-1-carboxamide

C18H18Cl2N2O3 — CID 42920707

IUPACN-(2-anilino-2-oxoethyl)-2,2-dichloro-N-(furan-2-ylmethyl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)CC1(Cl)Cl
InChIInChI=1S/C18H18Cl2N2O3/c1-17(12-18(17,19)20)16(24)22(10-14-8-5-9-25-14)11-15(23)21-13-6-3-2-4-7-13/h2-9H,10-12H2,1H3,(H,21,23)
InChIKeyIUMAHZSOTFOSCG-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.83
Rot. Bonds6

About N-(2-anilino-2-oxoethyl)-2,2-dichloro-N-(furan-2-ylmethyl)-1-methylcyclopropane-1-carboxamide

N-(2-anilino-2-oxoethyl)-2,2-dichloro-N-(furan-2-ylmethyl)-1-methylcyclopropane-1-carboxamide (PubChem CID 42920707) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-2,2-dichloro-N-(furan-2-ylmethyl)-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-2,2-dichloro-N-(furan-2-ylmethyl)-1-methylcyclopropane-1-carboxamide
PubChem CID42920707
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC NameN-(2-anilino-2-oxoethyl)-2,2-dichloro-N-(furan-2-ylmethyl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)CC1(Cl)Cl
InChIInChI=1S/C18H18Cl2N2O3/c1-17(12-18(17,19)20)16(24)22(10-14-8-5-9-25-14)11-15(23)21-13-6-3-2-4-7-13/h2-9H,10-12H2,1H3,(H,21,23)
InChIKeyIUMAHZSOTFOSCG-UHFFFAOYSA-N
XLogP3.83
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-anilino-2-oxoethyl)-2,2-dichloro-N-(furan-2-ylmethyl)-1-methylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-4-phenylbenzamide
CID 18291878
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 18098359
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 43034035
2-[[2-(4-acetamidophenyl)sulfanylacetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide
CID 24518090
2-[acetyl(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide
CID 113161076
N-(2-anilino-2-oxoethyl)-5-bromo-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 18098352
(E)-N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 46638145
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18098369
2-[[2-(4-bromophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide
CID 26999891
2-[acetyl(furan-2-ylmethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113161103
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide
CID 47012190
N'-benzyl-N'-(furan-2-ylmethyl)-N-phenyloxamide
CID 75493351

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-2,2-dichloro-N-(furan-2-ylmethyl)-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-2,2-dichloro-N-(furan-2-ylmethyl)-1-methylcyclopropane-1-carboxamide (CID 42920707) is N-(2-anilino-2-oxoethyl)-2,2-dichloro-N-(furan-2-ylmethyl)-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-2,2-dichloro-N-(furan-2-ylmethyl)-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-2,2-dichloro-N-(furan-2-ylmethyl)-1-methylcyclopropane-1-carboxamide is CC1(C(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)CC1(Cl)Cl.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-2,2-dichloro-N-(furan-2-ylmethyl)-1-methylcyclopropane-1-carboxamide?
The InChIKey is IUMAHZSOTFOSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-17(12-18(17,19)20)16(24)22(10-14-8-5-9-25-14)11-15(23)21-13-6-3-2-4-7-13/h2-9H,10-12H2,1H3,(H,21,23).
What are the key properties of N-(2-anilino-2-oxoethyl)-2,2-dichloro-N-(furan-2-ylmethyl)-1-methylcyclopropane-1-carboxamide?
N-(2-anilino-2-oxoethyl)-2,2-dichloro-N-(furan-2-ylmethyl)-1-methylcyclopropane-1-carboxamide has a molecular weight of 381.26 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-2,2-dichloro-N-(furan-2-ylmethyl)-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 42920707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).