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

C24H16Cl3NO3 — CID 19415524

IUPACN-(4-phenylphenyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1
InChIInChI=1S/C24H16Cl3NO3/c25-17-12-20(26)23(21(27)13-17)30-14-19-10-11-22(31-19)24(29)28-18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-13H,14H2,(H,28,29)
InChIKeyLIPVJIDJHPLWBH-UHFFFAOYSA-N
MW472.76 g/mol
LogP7.74
Rot. Bonds6

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

N-(4-phenylphenyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19415524) has the molecular formula C24H16Cl3NO3 and a molecular weight of 472.76 g/mol. Its IUPAC name is N-(4-phenylphenyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-phenylphenyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
PubChem CID19415524
Molecular FormulaC24H16Cl3NO3
Molecular Weight472.76 g/mol
Exact Mass471.02
IUPAC NameN-(4-phenylphenyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1
InChIInChI=1S/C24H16Cl3NO3/c25-17-12-20(26)23(21(27)13-17)30-14-19-10-11-22(31-19)24(29)28-18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-13H,14H2,(H,28,29)
InChIKeyLIPVJIDJHPLWBH-UHFFFAOYSA-N
XLogP7.74
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.76
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 19465856
5-(naphthalen-1-yloxymethyl)-N-(4-phenylphenyl)furan-2-carboxamide
CID 19412894
5-[(3,5-dimethylphenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19463303
5-[(4-fluorophenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19413095
N-(1-methylbenzimidazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415493
4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
CID 126203909
N-cyclopentyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415446
N-(3,4-dichlorophenyl)-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19446793
N-(furan-2-ylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415533
5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19457050
N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7341802
3-[[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
CID 17386602

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(4-phenylphenyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide (CID 19415524) is N-(4-phenylphenyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-phenylphenyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(4-phenylphenyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide is O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1.
What is the InChIKey of N-(4-phenylphenyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is LIPVJIDJHPLWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl3NO3/c25-17-12-20(26)23(21(27)13-17)30-14-19-10-11-22(31-19)24(29)28-18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-13H,14H2,(H,28,29).
What are the key properties of N-(4-phenylphenyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
N-(4-phenylphenyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 472.76 g/mol, XLogP of 7.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19415524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).