4-[3-(2,4-dichlorophenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid

C17H21Cl2NO4 — CID 120673180

IUPAC4-[3-(2,4-dichlorophenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCCOc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H21Cl2NO4/c18-13-6-7-15(14(19)10-13)24-9-1-8-20-16(21)11-2-4-12(5-3-11)17(22)23/h6-7,10-12H,1-5,8-9H2,(H,20,21)(H,22,23)
InChIKeyLMEFXJSTLLJGNF-UHFFFAOYSA-N
MW374.26 g/mol
LogP3.77
Rot. Bonds7

About 4-[3-(2,4-dichlorophenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid

4-[3-(2,4-dichlorophenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120673180) has the molecular formula C17H21Cl2NO4 and a molecular weight of 374.26 g/mol. Its IUPAC name is 4-[3-(2,4-dichlorophenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(2,4-dichlorophenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120673180
Molecular FormulaC17H21Cl2NO4
Molecular Weight374.26 g/mol
Exact Mass373.08
IUPAC Name4-[3-(2,4-dichlorophenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCCOc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H21Cl2NO4/c18-13-6-7-15(14(19)10-13)24-9-1-8-20-16(21)11-2-4-12(5-3-11)17(22)23/h6-7,10-12H,1-5,8-9H2,(H,20,21)(H,22,23)
InChIKeyLMEFXJSTLLJGNF-UHFFFAOYSA-N
XLogP3.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[3-(2,4-dichlorophenoxy)propylcarbamoyl]cyclohexane-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

(2S)-N-[3-(2,4-dichlorophenoxy)propyl]-5-oxopyrrolidine-2-carboxamide
CID 95040802
2-(cyclopropylmethylamino)-N-[3-(2,4-dichlorophenoxy)propyl]acetamide;hydrochloride
CID 119754502
N-[2-(2-chloro-4-propan-2-yloxyphenoxy)ethyl]cyclopropanecarboxamide
CID 54403626
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030116
1-amino-N-[3-(2,4-dichlorophenoxy)propyl]cyclopentane-1-carboxamide
CID 119306646
N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]cyclopropanecarboxamide
CID 38324971
4-[2-(2,4-dichlorophenoxy)ethylamino]-4-oxobutanoic acid
CID 9156378
4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
CID 2227549
2-chloro-N-[3-(2,4-dichlorophenoxy)propylcarbamothioyl]benzamide
CID 134095574
1-(cyclopropanecarbonyl)-N'-[4-(2,4-dichlorophenoxy)butanoyl]piperidine-4-carbohydrazide
CID 55343438
3-[3-(2,4-dichlorophenoxy)propyl-prop-2-ynylamino]propylcarbamic acid
CID 118252157

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-dichlorophenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[3-(2,4-dichlorophenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid (CID 120673180) is 4-[3-(2,4-dichlorophenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[3-(2,4-dichlorophenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[3-(2,4-dichlorophenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NCCCOc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 4-[3-(2,4-dichlorophenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is LMEFXJSTLLJGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2NO4/c18-13-6-7-15(14(19)10-13)24-9-1-8-20-16(21)11-2-4-12(5-3-11)17(22)23/h6-7,10-12H,1-5,8-9H2,(H,20,21)(H,22,23).
What are the key properties of 4-[3-(2,4-dichlorophenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[3-(2,4-dichlorophenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 374.26 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-dichlorophenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).