N-[1-(1-adamantyl)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide

C25H29Cl2NO3 — CID 19456889

IUPACN-[1-(1-adamantyl)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
SMILESCCC(NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H29Cl2NO3/c1-2-23(25-11-15-7-16(12-25)9-17(8-15)13-25)28-24(29)22-6-4-19(31-22)14-30-21-5-3-18(26)10-20(21)27/h3-6,10,15-17,23H,2,7-9,11-14H2,1H3,(H,28,29)
InChIKeyLRENRFLWPXIDRS-UHFFFAOYSA-N
MW462.42 g/mol
LogP6.89
Rot. Bonds7

About N-[1-(1-adamantyl)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide

N-[1-(1-adamantyl)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19456889) has the molecular formula C25H29Cl2NO3 and a molecular weight of 462.42 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
PubChem CID19456889
Molecular FormulaC25H29Cl2NO3
Molecular Weight462.42 g/mol
Exact Mass461.15
IUPAC NameN-[1-(1-adamantyl)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
SMILESCCC(NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H29Cl2NO3/c1-2-23(25-11-15-7-16(12-25)9-17(8-15)13-25)28-24(29)22-6-4-19(31-22)14-30-21-5-3-18(26)10-20(21)27/h3-6,10,15-17,23H,2,7-9,11-14H2,1H3,(H,28,29)
InChIKeyLRENRFLWPXIDRS-UHFFFAOYSA-N
XLogP6.89
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.42
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(1-adamantyl)propyl]-5-[(2,4-dichlorophenoxy)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-[1-(1-adamantyl)propyl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19452955
N-[1-(1-adamantyl)propyl]-5-[(2-chloro-5-nitrophenoxy)methyl]furan-2-carboxamide
CID 19459528
N-[1-(1-adamantyl)propyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19413323
N-[1-(1-adamantyl)propyl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19446640
N-[1-(1-adamantyl)propyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 19413535
N-[1-(1-adamantyl)propyl]-5-[(4-butan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19450525
5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19456984
methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19456933
N-[1-(1-adamantyl)propyl]-5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 19448416
2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid
CID 126213765
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 110278359
N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 3392099

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide (CID 19456889) is N-[1-(1-adamantyl)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide is CCC(NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is LRENRFLWPXIDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Cl2NO3/c1-2-23(25-11-15-7-16(12-25)9-17(8-15)13-25)28-24(29)22-6-4-19(31-22)14-30-21-5-3-18(26)10-20(21)27/h3-6,10,15-17,23H,2,7-9,11-14H2,1H3,(H,28,29).
What are the key properties of N-[1-(1-adamantyl)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide?
N-[1-(1-adamantyl)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 462.42 g/mol, XLogP of 6.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19456889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).