N-[2-(2,4-dichlorophenyl)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide

C17H20Cl2N2O3 — CID 109133340

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)C1CC1C(=O)N1CCOCC1
InChIInChI=1S/C17H20Cl2N2O3/c18-12-2-1-11(15(19)9-12)3-4-20-16(22)13-10-14(13)17(23)21-5-7-24-8-6-21/h1-2,9,13-14H,3-8,10H2,(H,20,22)
InChIKeyACEWJIRWKNPMET-UHFFFAOYSA-N
MW371.26 g/mol
LogP2.15
Rot. Bonds5

About N-[2-(2,4-dichlorophenyl)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide

N-[2-(2,4-dichlorophenyl)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109133340) has the molecular formula C17H20Cl2N2O3 and a molecular weight of 371.26 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
PubChem CID109133340
Molecular FormulaC17H20Cl2N2O3
Molecular Weight371.26 g/mol
Exact Mass370.09
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)C1CC1C(=O)N1CCOCC1
InChIInChI=1S/C17H20Cl2N2O3/c18-12-2-1-11(15(19)9-12)3-4-20-16(22)13-10-14(13)17(23)21-5-7-24-8-6-21/h1-2,9,13-14H,3-8,10H2,(H,20,22)
InChIKeyACEWJIRWKNPMET-UHFFFAOYSA-N
XLogP2.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131873
N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134542
2-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131098
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 108984345
N-[2-(3-chlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131872
2-(morpholine-4-carbonyl)-N-propylcyclopropane-1-carboxamide
CID 109130430
1-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133945
N-[2-(2-fluorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131828
4-(3-chloro-4-fluorophenyl)sulfinylcarbonyl-N-(cyanomethyl)-2-(morpholine-4-carbonyl)cyclopentane-1-carboxamide
CID 91467661
N-(1,3-benzodioxol-5-ylmethyl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133289
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrrolidine-2-carboxamide
CID 110856253
N-[2-(3-chlorophenyl)ethyl]-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134375

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide (CID 109133340) is N-[2-(2,4-dichlorophenyl)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide is O=C(NCCc1ccc(Cl)cc1Cl)C1CC1C(=O)N1CCOCC1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is ACEWJIRWKNPMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O3/c18-12-2-1-11(15(19)9-12)3-4-20-16(22)13-10-14(13)17(23)21-5-7-24-8-6-21/h1-2,9,13-14H,3-8,10H2,(H,20,22).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 371.26 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109133340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).