N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]furan-2-carboxamide

C28H25Cl2NO4 — CID 42701738

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(CN(CCc2ccc(Cl)cc2Cl)C(=O)c2ccco2)cc1OCc1ccccc1
InChIInChI=1S/C28H25Cl2NO4/c1-33-25-12-9-21(16-27(25)35-19-20-6-3-2-4-7-20)18-31(28(32)26-8-5-15-34-26)14-13-22-10-11-23(29)17-24(22)30/h2-12,15-17H,13-14,18-19H2,1H3
InChIKeyRFVJQJDCKHASQY-UHFFFAOYSA-N
MW510.42 g/mol
LogP7.06
Rot. Bonds10

About N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]furan-2-carboxamide

N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 42701738) has the molecular formula C28H25Cl2NO4 and a molecular weight of 510.42 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]furan-2-carboxamide
PubChem CID42701738
Molecular FormulaC28H25Cl2NO4
Molecular Weight510.42 g/mol
Exact Mass509.12
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(CN(CCc2ccc(Cl)cc2Cl)C(=O)c2ccco2)cc1OCc1ccccc1
InChIInChI=1S/C28H25Cl2NO4/c1-33-25-12-9-21(16-27(25)35-19-20-6-3-2-4-7-20)18-31(28(32)26-8-5-15-34-26)14-13-22-10-11-23(29)17-24(22)30/h2-12,15-17H,13-14,18-19H2,1H3
InChIKeyRFVJQJDCKHASQY-UHFFFAOYSA-N
XLogP7.06
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.42
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]furan-2-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-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-phenylsulfanylacetamide
CID 42701741
N-benzyl-2-chloro-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide
CID 42701860
2-(2,4-dichlorophenyl)ethyl-[(4-methoxy-3-phenylmethoxyphenyl)methyl]azanium
CID 7418975
ethyl 4-[2-(2,4-dichlorophenyl)ethyl-[(3,4-dimethoxyphenyl)methyl]amino]-4-oxobutanoate
CID 42709217
N-(furan-2-ylmethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide
CID 42704323
3-butyl-1-[2-(2,4-dichlorophenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]urea
CID 42709219
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide
CID 42695445
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 42701819
N-benzyl-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 42797806
2,4-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 42704417
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 42809074
N-benzyl-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]furan-2-carboxamide
CID 58384167

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]furan-2-carboxamide (CID 42701738) is N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]furan-2-carboxamide is COc1ccc(CN(CCc2ccc(Cl)cc2Cl)C(=O)c2ccco2)cc1OCc1ccccc1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is RFVJQJDCKHASQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25Cl2NO4/c1-33-25-12-9-21(16-27(25)35-19-20-6-3-2-4-7-20)18-31(28(32)26-8-5-15-34-26)14-13-22-10-11-23(29)17-24(22)30/h2-12,15-17H,13-14,18-19H2,1H3.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]furan-2-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 510.42 g/mol, XLogP of 7.06, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 42701738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).