1-N'-[2-(2,4-dichlorophenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide

C17H22Cl2N2O3 — CID 108972921

IUPAC1-N'-[2-(2,4-dichlorophenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
SMILESCOCCCNC(=O)C1(C(=O)NCCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H22Cl2N2O3/c1-24-10-2-8-20-15(22)17(6-7-17)16(23)21-9-5-12-3-4-13(18)11-14(12)19/h3-4,11H,2,5-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyINBRDVRGXZGSBA-UHFFFAOYSA-N
MW373.28 g/mol
LogP2.59
Rot. Bonds9

About 1-N'-[2-(2,4-dichlorophenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide

1-N'-[2-(2,4-dichlorophenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108972921) has the molecular formula C17H22Cl2N2O3 and a molecular weight of 373.28 g/mol. Its IUPAC name is 1-N'-[2-(2,4-dichlorophenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[2-(2,4-dichlorophenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
PubChem CID108972921
Molecular FormulaC17H22Cl2N2O3
Molecular Weight373.28 g/mol
Exact Mass372.10
IUPAC Name1-N'-[2-(2,4-dichlorophenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
SMILESCOCCCNC(=O)C1(C(=O)NCCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H22Cl2N2O3/c1-24-10-2-8-20-15(22)17(6-7-17)16(23)21-9-5-12-3-4-13(18)11-14(12)19/h3-4,11H,2,5-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyINBRDVRGXZGSBA-UHFFFAOYSA-N
XLogP2.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide
CID 94001130
1-N'-[2-(2-methoxyphenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
CID 108972881
1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108980409
1-N'-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108979867
1-amino-N-[3-(2,4-dichlorophenyl)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119813570
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutanamide
CID 55080863
N-[2-(2,4-dichlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 113198580
2-[acetyl(3-methoxypropyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 113160075
N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine
CID 113436854
2-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)acetamide
CID 67968197
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
1-[2-(2,4-dichlorophenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108989707

Frequently Asked Questions

What is the IUPAC name of 1-N'-[2-(2,4-dichlorophenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[2-(2,4-dichlorophenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide (CID 108972921) is 1-N'-[2-(2,4-dichlorophenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[2-(2,4-dichlorophenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[2-(2,4-dichlorophenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide is COCCCNC(=O)C1(C(=O)NCCc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-N'-[2-(2,4-dichlorophenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is INBRDVRGXZGSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O3/c1-24-10-2-8-20-15(22)17(6-7-17)16(23)21-9-5-12-3-4-13(18)11-14(12)19/h3-4,11H,2,5-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 1-N'-[2-(2,4-dichlorophenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide?
1-N'-[2-(2,4-dichlorophenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 373.28 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[2-(2,4-dichlorophenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108972921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).