N-[phenyl-[5-phenyl-2-(trifluoromethyl)-1-benzofuran-3-yl]methylidene]acetamide

C24H16F3NO2 — CID 176901715

IUPACN-[phenyl-[5-phenyl-2-(trifluoromethyl)-1-benzofuran-3-yl]methylidene]acetamide
SMILESCC(=O)/N=C(\c1ccccc1)c1c(C(F)(F)F)oc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C24H16F3NO2/c1-15(29)28-22(17-10-6-3-7-11-17)21-19-14-18(16-8-4-2-5-9-16)12-13-20(19)30-23(21)24(25,26)27/h2-14H,1H3/b28-22+
InChIKeyKQTQGQRMKNWUHN-XAYXJRQQSA-N
MW407.39 g/mol
LogP6.50
Rot. Bonds3

About N-[phenyl-[5-phenyl-2-(trifluoromethyl)-1-benzofuran-3-yl]methylidene]acetamide

N-[phenyl-[5-phenyl-2-(trifluoromethyl)-1-benzofuran-3-yl]methylidene]acetamide (PubChem CID 176901715) has the molecular formula C24H16F3NO2 and a molecular weight of 407.39 g/mol. Its IUPAC name is N-[phenyl-[5-phenyl-2-(trifluoromethyl)-1-benzofuran-3-yl]methylidene]acetamide.

Molecular Properties

Compound NameN-[phenyl-[5-phenyl-2-(trifluoromethyl)-1-benzofuran-3-yl]methylidene]acetamide
PubChem CID176901715
Molecular FormulaC24H16F3NO2
Molecular Weight407.39 g/mol
Exact Mass407.11
IUPAC NameN-[phenyl-[5-phenyl-2-(trifluoromethyl)-1-benzofuran-3-yl]methylidene]acetamide
SMILESCC(=O)/N=C(\c1ccccc1)c1c(C(F)(F)F)oc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C24H16F3NO2/c1-15(29)28-22(17-10-6-3-7-11-17)21-19-14-18(16-8-4-2-5-9-16)12-13-20(19)30-23(21)24(25,26)27/h2-14H,1H3/b28-22+
InChIKeyKQTQGQRMKNWUHN-XAYXJRQQSA-N
XLogP6.50
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.39
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

9,27-diphenyl-13,17,21,31-tetraoxanonacyclo[18.14.0.03,18.04,16.06,14.07,12.022,34.024,32.025,30]tetratriaconta-1(20),2,4(16),5,7(12),8,10,14,18,22,24(32),25(30),26,28,33-pentadecaene
CID 58004021
3,4-dihydroxy-6-phenylchromen-2-one
CID 54690428
ethyl 2-methyl-4-oxo-6-phenylchromene-3-carboxylate
CID 134867655
5-phenyl-3-propyl-1-benzofuran-2-carboxylic acid
CID 62381402
N,4-diphenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;4-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158000824
8-phenyl-N,N-bis(8-phenyldibenzofuran-2-yl)dibenzofuran-2-amine
CID 59470035
2-(4-tert-butylphenyl)-8-(9,10-ditert-butyl-6-phenylanthracen-2-yl)dibenzofuran
CID 90262330
5-(4-phenylphenyl)-2-(trifluoromethyl)furan-3-carboxamide
CID 141114523
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
2-methyl-7-phenylxanthen-9-one
CID 123326805
1-(5-chloro-2-phenyl-1-benzofuran-3-yl)ethanone
CID 21452748
2-phenyl-8-(4-propan-2-ylphenyl)dibenzofuran
CID 67964002

Frequently Asked Questions

What is the IUPAC name of N-[phenyl-[5-phenyl-2-(trifluoromethyl)-1-benzofuran-3-yl]methylidene]acetamide?
The IUPAC name of N-[phenyl-[5-phenyl-2-(trifluoromethyl)-1-benzofuran-3-yl]methylidene]acetamide (CID 176901715) is N-[phenyl-[5-phenyl-2-(trifluoromethyl)-1-benzofuran-3-yl]methylidene]acetamide.
What is the SMILES notation for N-[phenyl-[5-phenyl-2-(trifluoromethyl)-1-benzofuran-3-yl]methylidene]acetamide?
The canonical SMILES for N-[phenyl-[5-phenyl-2-(trifluoromethyl)-1-benzofuran-3-yl]methylidene]acetamide is CC(=O)/N=C(\c1ccccc1)c1c(C(F)(F)F)oc2ccc(-c3ccccc3)cc12.
What is the InChIKey of N-[phenyl-[5-phenyl-2-(trifluoromethyl)-1-benzofuran-3-yl]methylidene]acetamide?
The InChIKey is KQTQGQRMKNWUHN-XAYXJRQQSA-N. The full InChI is InChI=1S/C24H16F3NO2/c1-15(29)28-22(17-10-6-3-7-11-17)21-19-14-18(16-8-4-2-5-9-16)12-13-20(19)30-23(21)24(25,26)27/h2-14H,1H3/b28-22+.
What are the key properties of N-[phenyl-[5-phenyl-2-(trifluoromethyl)-1-benzofuran-3-yl]methylidene]acetamide?
N-[phenyl-[5-phenyl-2-(trifluoromethyl)-1-benzofuran-3-yl]methylidene]acetamide has a molecular weight of 407.39 g/mol, XLogP of 6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl-[5-phenyl-2-(trifluoromethyl)-1-benzofuran-3-yl]methylidene]acetamide is sourced from PubChem (CID 176901715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).