2-[2-[(2,4-dichlorophenyl)methoxy]ethylcarbamoyl]cyclopropane-1-carboxylic acid

C14H15Cl2NO4 — CID 120551639

IUPAC2-[2-[(2,4-dichlorophenyl)methoxy]ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NCCOCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2NO4/c15-9-2-1-8(12(16)5-9)7-21-4-3-17-13(18)10-6-11(10)14(19)20/h1-2,5,10-11H,3-4,6-7H2,(H,17,18)(H,19,20)
InChIKeyXFSVWRWTRPGCTK-UHFFFAOYSA-N
MW332.18 g/mol
LogP2.35
Rot. Bonds7

About 2-[2-[(2,4-dichlorophenyl)methoxy]ethylcarbamoyl]cyclopropane-1-carboxylic acid

2-[2-[(2,4-dichlorophenyl)methoxy]ethylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 120551639) has the molecular formula C14H15Cl2NO4 and a molecular weight of 332.18 g/mol. Its IUPAC name is 2-[2-[(2,4-dichlorophenyl)methoxy]ethylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(2,4-dichlorophenyl)methoxy]ethylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID120551639
Molecular FormulaC14H15Cl2NO4
Molecular Weight332.18 g/mol
Exact Mass331.04
IUPAC Name2-[2-[(2,4-dichlorophenyl)methoxy]ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NCCOCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2NO4/c15-9-2-1-8(12(16)5-9)7-21-4-3-17-13(18)10-6-11(10)14(19)20/h1-2,5,10-11H,3-4,6-7H2,(H,17,18)(H,19,20)
InChIKeyXFSVWRWTRPGCTK-UHFFFAOYSA-N
XLogP2.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[(2,4-dichlorophenyl)methoxy]ethylcarbamoyl]cyclopropane-1-carboxylic acid 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-[(2,4-dichlorophenyl)methoxy]ethyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120955458
2-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131098
1-N-(2,5-dichlorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133069
trans-(1R,2R)-2-[2-(3,4-difluorophenoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125154161
trans-(1S,2S)-2-[(5-chloro-2-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131515
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
cis-(1S,2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106234746
2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791872
2-[(2,4-dichlorophenyl)methoxy]-N-ethylethanamine
CID 62336671
cis-(2,4-dichlorophenyl)methyl (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 2376302
N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]methanesulfonamide
CID 75445405

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-dichlorophenyl)methoxy]ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-[(2,4-dichlorophenyl)methoxy]ethylcarbamoyl]cyclopropane-1-carboxylic acid (CID 120551639) is 2-[2-[(2,4-dichlorophenyl)methoxy]ethylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-[(2,4-dichlorophenyl)methoxy]ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-[(2,4-dichlorophenyl)methoxy]ethylcarbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)NCCOCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[2-[(2,4-dichlorophenyl)methoxy]ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is XFSVWRWTRPGCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO4/c15-9-2-1-8(12(16)5-9)7-21-4-3-17-13(18)10-6-11(10)14(19)20/h1-2,5,10-11H,3-4,6-7H2,(H,17,18)(H,19,20).
What are the key properties of 2-[2-[(2,4-dichlorophenyl)methoxy]ethylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[2-[(2,4-dichlorophenyl)methoxy]ethylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 332.18 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-dichlorophenyl)methoxy]ethylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 120551639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).