N-[[4-(3-ethylphenyl)phenyl]methyl]-5-fluoro-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide

C33H27F4NO2 — CID 146553373

IUPACN-[[4-(3-ethylphenyl)phenyl]methyl]-5-fluoro-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide
SMILESCCc1cccc(-c2ccc(CN(Cc3ccc(C(F)(F)F)o3)C(=O)c3c(C)ccc4c(F)cccc34)cc2)c1
InChIInChI=1S/C33H27F4NO2/c1-3-22-6-4-7-25(18-22)24-13-11-23(12-14-24)19-38(20-26-15-17-30(40-26)33(35,36)37)32(39)31-21(2)10-16-27-28(31)8-5-9-29(27)34/h4-18H,3,19-20H2,1-2H3
InChIKeyHACBSEKLMHZPOZ-UHFFFAOYSA-N
MW545.58 g/mol
LogP8.97
Rot. Bonds7

About N-[[4-(3-ethylphenyl)phenyl]methyl]-5-fluoro-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide

N-[[4-(3-ethylphenyl)phenyl]methyl]-5-fluoro-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide (PubChem CID 146553373) has the molecular formula C33H27F4NO2 and a molecular weight of 545.58 g/mol. Its IUPAC name is N-[[4-(3-ethylphenyl)phenyl]methyl]-5-fluoro-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-ethylphenyl)phenyl]methyl]-5-fluoro-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide
PubChem CID146553373
Molecular FormulaC33H27F4NO2
Molecular Weight545.58 g/mol
Exact Mass545.20
IUPAC NameN-[[4-(3-ethylphenyl)phenyl]methyl]-5-fluoro-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide
SMILESCCc1cccc(-c2ccc(CN(Cc3ccc(C(F)(F)F)o3)C(=O)c3c(C)ccc4c(F)cccc34)cc2)c1
InChIInChI=1S/C33H27F4NO2/c1-3-22-6-4-7-25(18-22)24-13-11-23(12-14-24)19-38(20-26-15-17-30(40-26)33(35,36)37)32(39)31-21(2)10-16-27-28(31)8-5-9-29(27)34/h4-18H,3,19-20H2,1-2H3
InChIKeyHACBSEKLMHZPOZ-UHFFFAOYSA-N
XLogP8.97
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.58
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-ethylphenyl)phenyl]methyl]-5-fluoro-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[4-(3-ethylphenyl)phenyl]methyl]-5-fluoro-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide (CID 146553373) is N-[[4-(3-ethylphenyl)phenyl]methyl]-5-fluoro-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[4-(3-ethylphenyl)phenyl]methyl]-5-fluoro-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[4-(3-ethylphenyl)phenyl]methyl]-5-fluoro-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide is CCc1cccc(-c2ccc(CN(Cc3ccc(C(F)(F)F)o3)C(=O)c3c(C)ccc4c(F)cccc34)cc2)c1.
What is the InChIKey of N-[[4-(3-ethylphenyl)phenyl]methyl]-5-fluoro-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide?
The InChIKey is HACBSEKLMHZPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27F4NO2/c1-3-22-6-4-7-25(18-22)24-13-11-23(12-14-24)19-38(20-26-15-17-30(40-26)33(35,36)37)32(39)31-21(2)10-16-27-28(31)8-5-9-29(27)34/h4-18H,3,19-20H2,1-2H3.
What are the key properties of N-[[4-(3-ethylphenyl)phenyl]methyl]-5-fluoro-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide?
N-[[4-(3-ethylphenyl)phenyl]methyl]-5-fluoro-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide has a molecular weight of 545.58 g/mol, XLogP of 8.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-ethylphenyl)phenyl]methyl]-5-fluoro-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 146553373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).