1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)cyclobutane-1-carboxamide

C14H17Cl2NO2 — CID 110437487

IUPAC1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)cyclobutane-1-carboxamide
SMILESCOCCNC(=O)C1(c2ccc(Cl)cc2Cl)CCC1
InChIInChI=1S/C14H17Cl2NO2/c1-19-8-7-17-13(18)14(5-2-6-14)11-4-3-10(15)9-12(11)16/h3-4,9H,2,5-8H2,1H3,(H,17,18)
InChIKeyWTWPMOMNJXDJET-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.18
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)cyclobutane-1-carboxamide

1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)cyclobutane-1-carboxamide (PubChem CID 110437487) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)cyclobutane-1-carboxamide
PubChem CID110437487
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)cyclobutane-1-carboxamide
SMILESCOCCNC(=O)C1(c2ccc(Cl)cc2Cl)CCC1
InChIInChI=1S/C14H17Cl2NO2/c1-19-8-7-17-13(18)14(5-2-6-14)11-4-3-10(15)9-12(11)16/h3-4,9H,2,5-8H2,1H3,(H,17,18)
InChIKeyWTWPMOMNJXDJET-UHFFFAOYSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-(2,4-dichlorophenyl)cyclopentane-1-carboxylate
CID 3454678
N-(cyclohexylmethyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 1448350
4-chloro-N-[4-[1-(2-methoxyethylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 46384111
N-[[1-(2,4-dichlorophenyl)cyclopentyl]methyl]-2-methoxyethanamine
CID 62595688
1-(4-fluorophenyl)-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 112537817
1-(2-fluorophenyl)-N-(3-methoxypropyl)cyclopentane-1-carboxamide
CID 110438277
1-(2,4-dichlorophenyl)-N-(4-ethoxy-3,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 100668010
1-(2-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
CID 110438432
1-(2-chloro-4-methoxyphenyl)cyclobutane-1-carbohydrazide
CID 116844322
N-(3-chloro-4-ethoxyphenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100668194
1-N'-[2-(2,4-dichlorophenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
CID 108972921
1-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)cyclobutane-1-carboxamide
CID 110439479

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)cyclobutane-1-carboxamide (CID 110437487) is 1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)cyclobutane-1-carboxamide is COCCNC(=O)C1(c2ccc(Cl)cc2Cl)CCC1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)cyclobutane-1-carboxamide?
The InChIKey is WTWPMOMNJXDJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-19-8-7-17-13(18)14(5-2-6-14)11-4-3-10(15)9-12(11)16/h3-4,9H,2,5-8H2,1H3,(H,17,18).
What are the key properties of 1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)cyclobutane-1-carboxamide?
1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)cyclobutane-1-carboxamide has a molecular weight of 302.20 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 110437487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).