N-(1-adamantylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide

C23H24Cl3NO3 — CID 19415569

IUPACN-(1-adamantylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1
InChIInChI=1S/C23H24Cl3NO3/c24-16-6-18(25)21(19(26)7-16)29-11-17-1-2-20(30-17)22(28)27-12-23-8-13-3-14(9-23)5-15(4-13)10-23/h1-2,6-7,13-15H,3-5,8-12H2,(H,27,28)
InChIKeyJVNWBFCDNBYNQM-UHFFFAOYSA-N
MW468.81 g/mol
LogP6.76
Rot. Bonds6

About N-(1-adamantylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide

N-(1-adamantylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19415569) has the molecular formula C23H24Cl3NO3 and a molecular weight of 468.81 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
PubChem CID19415569
Molecular FormulaC23H24Cl3NO3
Molecular Weight468.81 g/mol
Exact Mass467.08
IUPAC NameN-(1-adamantylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1
InChIInChI=1S/C23H24Cl3NO3/c24-16-6-18(25)21(19(26)7-16)29-11-17-1-2-20(30-17)22(28)27-12-23-8-13-3-14(9-23)5-15(4-13)10-23/h1-2,6-7,13-15H,3-5,8-12H2,(H,27,28)
InChIKeyJVNWBFCDNBYNQM-UHFFFAOYSA-N
XLogP6.76
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.81
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-adamantyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415522
N-(1-adamantylmethyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467608
N-cyclopentyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415446
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-adamantylmethyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 38029532
N-(4-phenylphenyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415524
N-[1-(1-adamantyl)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19456889
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415586
5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-propylfuran-2-carboxamide
CID 19465878
5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19456984

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide (CID 19415569) is N-(1-adamantylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1.
What is the InChIKey of N-(1-adamantylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is JVNWBFCDNBYNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl3NO3/c24-16-6-18(25)21(19(26)7-16)29-11-17-1-2-20(30-17)22(28)27-12-23-8-13-3-14(9-23)5-15(4-13)10-23/h1-2,6-7,13-15H,3-5,8-12H2,(H,27,28).
What are the key properties of N-(1-adamantylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
N-(1-adamantylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 468.81 g/mol, XLogP of 6.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19415569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).