N-(2-adamantyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide

C22H22Cl3NO3 — CID 19415522

IUPACN-(2-adamantyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1
InChIInChI=1S/C22H22Cl3NO3/c23-15-8-17(24)21(18(25)9-15)28-10-16-1-2-19(29-16)22(27)26-20-13-4-11-3-12(6-13)7-14(20)5-11/h1-2,8-9,11-14,20H,3-7,10H2,(H,26,27)
InChIKeyLEDLSZXIFIAPHQ-UHFFFAOYSA-N
MW454.78 g/mol
LogP6.37
Rot. Bonds5

About N-(2-adamantyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide

N-(2-adamantyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19415522) has the molecular formula C22H22Cl3NO3 and a molecular weight of 454.78 g/mol. Its IUPAC name is N-(2-adamantyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
PubChem CID19415522
Molecular FormulaC22H22Cl3NO3
Molecular Weight454.78 g/mol
Exact Mass453.07
IUPAC NameN-(2-adamantyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1
InChIInChI=1S/C22H22Cl3NO3/c23-15-8-17(24)21(18(25)9-15)28-10-16-1-2-19(29-16)22(27)26-20-13-4-11-3-12(6-13)7-14(20)5-11/h1-2,8-9,11-14,20H,3-7,10H2,(H,26,27)
InChIKeyLEDLSZXIFIAPHQ-UHFFFAOYSA-N
XLogP6.37
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.78
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415446
N-(1-adamantylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415569
N-(4-phenylphenyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415524
N-(furan-2-ylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415533
N-[2-(diethylamino)ethyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415635
N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19292559
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415586
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]adamantan-2-amine
CID 35697691
N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415531
N-(1-methylbenzimidazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415493
methyl 1-methyl-4-[[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate
CID 19342140
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19412139

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(2-adamantyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide (CID 19415522) is N-(2-adamantyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-adamantyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1.
What is the InChIKey of N-(2-adamantyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is LEDLSZXIFIAPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl3NO3/c23-15-8-17(24)21(18(25)9-15)28-10-16-1-2-19(29-16)22(27)26-20-13-4-11-3-12(6-13)7-14(20)5-11/h1-2,8-9,11-14,20H,3-7,10H2,(H,26,27).
What are the key properties of N-(2-adamantyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
N-(2-adamantyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 454.78 g/mol, XLogP of 6.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19415522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).