1-[[2-(2,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)cyclopentane-1-carboxamide

C26H26Cl2N2O4 — CID 1047305

IUPAC1-[[2-(2,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1cccc(NC(=O)C2(N(Cc3ccco3)C(=O)COc3ccc(Cl)cc3Cl)CCCC2)c1
InChIInChI=1S/C26H26Cl2N2O4/c1-18-6-4-7-20(14-18)29-25(32)26(11-2-3-12-26)30(16-21-8-5-13-33-21)24(31)17-34-23-10-9-19(27)15-22(23)28/h4-10,13-15H,2-3,11-12,16-17H2,1H3,(H,29,32)
InChIKeyAXNJSDHQRHNFLL-UHFFFAOYSA-N
MW501.41 g/mol
LogP6.25
Rot. Bonds8

About 1-[[2-(2,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)cyclopentane-1-carboxamide

1-[[2-(2,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 1047305) has the molecular formula C26H26Cl2N2O4 and a molecular weight of 501.41 g/mol. Its IUPAC name is 1-[[2-(2,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[2-(2,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)cyclopentane-1-carboxamide
PubChem CID1047305
Molecular FormulaC26H26Cl2N2O4
Molecular Weight501.41 g/mol
Exact Mass500.13
IUPAC Name1-[[2-(2,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1cccc(NC(=O)C2(N(Cc3ccco3)C(=O)COc3ccc(Cl)cc3Cl)CCCC2)c1
InChIInChI=1S/C26H26Cl2N2O4/c1-18-6-4-7-20(14-18)29-25(32)26(11-2-3-12-26)30(16-21-8-5-13-33-21)24(31)17-34-23-10-9-19(27)15-22(23)28/h4-10,13-15H,2-3,11-12,16-17H2,1H3,(H,29,32)
InChIKeyAXNJSDHQRHNFLL-UHFFFAOYSA-N
XLogP6.25
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.41
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(2,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)cyclopentane-1-carboxamide 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-(3-chlorophenyl)-1-[[2-(2,4-dichlorophenoxy)acetyl]-ethylamino]cyclohexane-1-carboxamide
CID 45034137
N-(4-chlorophenyl)-2-(2,4-dichlorophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 35182106
1-[[2-(3-amino-1H-1,2,4-triazol-5-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 1286281
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 11839533
2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 84601511
2-(2-amino-4-chlorophenoxy)-N-(3-methylphenyl)acetamide
CID 24695483
2-(2-chloro-4-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 161150821
2-(4-chloro-2-methylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide
CID 19243794
N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-2-hydroxybenzamide
CID 1273056
N-(3-chloro-4-ethoxyphenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100668194
5-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707257
N-[2-(2,4-dichlorophenoxy)ethyl]-3-methylaniline
CID 54796172

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-[[2-(2,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)cyclopentane-1-carboxamide (CID 1047305) is 1-[[2-(2,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[2-(2,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-[[2-(2,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)cyclopentane-1-carboxamide is Cc1cccc(NC(=O)C2(N(Cc3ccco3)C(=O)COc3ccc(Cl)cc3Cl)CCCC2)c1.
What is the InChIKey of 1-[[2-(2,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is AXNJSDHQRHNFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N2O4/c1-18-6-4-7-20(14-18)29-25(32)26(11-2-3-12-26)30(16-21-8-5-13-33-21)24(31)17-34-23-10-9-19(27)15-22(23)28/h4-10,13-15H,2-3,11-12,16-17H2,1H3,(H,29,32).
What are the key properties of 1-[[2-(2,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)cyclopentane-1-carboxamide?
1-[[2-(2,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 501.41 g/mol, XLogP of 6.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 1047305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).