N-(4-ethoxyphenyl)-4-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide

C25H24FNO2 — CID 42697308

IUPACN-(4-ethoxyphenyl)-4-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
SMILESCCOc1ccc(N(C/C(C)=C/c2ccccc2)C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H24FNO2/c1-3-29-24-15-13-23(14-16-24)27(25(28)21-9-11-22(26)12-10-21)18-19(2)17-20-7-5-4-6-8-20/h4-17H,3,18H2,1-2H3/b19-17+
InChIKeyNPXDSXJOTQEPIL-HTXNQAPBSA-N
MW389.47 g/mol
LogP5.97
Rot. Bonds7

About N-(4-ethoxyphenyl)-4-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide

N-(4-ethoxyphenyl)-4-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide (PubChem CID 42697308) has the molecular formula C25H24FNO2 and a molecular weight of 389.47 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
PubChem CID42697308
Molecular FormulaC25H24FNO2
Molecular Weight389.47 g/mol
Exact Mass389.18
IUPAC NameN-(4-ethoxyphenyl)-4-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
SMILESCCOc1ccc(N(C/C(C)=C/c2ccccc2)C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H24FNO2/c1-3-29-24-15-13-23(14-16-24)27(25(28)21-9-11-22(26)12-10-21)18-19(2)17-20-7-5-4-6-8-20/h4-17H,3,18H2,1-2H3/b19-17+
InChIKeyNPXDSXJOTQEPIL-HTXNQAPBSA-N
XLogP5.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.47
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethoxyphenyl)-3,5-dimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 42697315
N-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide
CID 42697314
1-(4-ethoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea
CID 42697597
4-ethoxy-N-ethyl-N-phenylbenzamide
CID 721190
N-(4-ethoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzenesulfonamide
CID 42697318
(Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83950433
N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 78770402
N-[3-(4-ethoxyanilino)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 5167576
N-ethyl-4-(2-phenoxyethoxy)-N-phenylbenzamide
CID 4952665
2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide
CID 113173931
3-cyclopentyl-N-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]propanamide
CID 42697749

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide (CID 42697308) is N-(4-ethoxyphenyl)-4-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide is CCOc1ccc(N(C/C(C)=C/c2ccccc2)C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide?
The InChIKey is NPXDSXJOTQEPIL-HTXNQAPBSA-N. The full InChI is InChI=1S/C25H24FNO2/c1-3-29-24-15-13-23(14-16-24)27(25(28)21-9-11-22(26)12-10-21)18-19(2)17-20-7-5-4-6-8-20/h4-17H,3,18H2,1-2H3/b19-17+.
What are the key properties of N-(4-ethoxyphenyl)-4-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide?
N-(4-ethoxyphenyl)-4-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide has a molecular weight of 389.47 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide is sourced from PubChem (CID 42697308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).