N-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylmethoxyethenyl]-4-fluorobenzamide

C22H20FNO2 — CID 143726688

IUPACN-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylmethoxyethenyl]-4-fluorobenzamide
SMILESO=C(N/C(=C\C1=CC=CCC1)OCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H20FNO2/c23-20-13-11-19(12-14-20)22(25)24-21(15-17-7-3-1-4-8-17)26-16-18-9-5-2-6-10-18/h1-3,5-7,9-15H,4,8,16H2,(H,24,25)/b21-15+
InChIKeyYEYLQLPWIQMEIT-RCCKNPSSSA-N
MW349.41 g/mol
LogP4.89
Rot. Bonds6

About N-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylmethoxyethenyl]-4-fluorobenzamide

N-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylmethoxyethenyl]-4-fluorobenzamide (PubChem CID 143726688) has the molecular formula C22H20FNO2 and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylmethoxyethenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylmethoxyethenyl]-4-fluorobenzamide
PubChem CID143726688
Molecular FormulaC22H20FNO2
Molecular Weight349.41 g/mol
Exact Mass349.15
IUPAC NameN-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylmethoxyethenyl]-4-fluorobenzamide
SMILESO=C(N/C(=C\C1=CC=CCC1)OCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H20FNO2/c23-20-13-11-19(12-14-20)22(25)24-21(15-17-7-3-1-4-8-17)26-16-18-9-5-2-6-10-18/h1-3,5-7,9-15H,4,8,16H2,(H,24,25)/b21-15+
InChIKeyYEYLQLPWIQMEIT-RCCKNPSSSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-6-phenylmethoxy-1H-pyridin-2-one
CID 25167902
N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)benzamide
CID 2817603
N-[(4-fluorophenyl)-methoxymethyl]benzamide
CID 11032595
N-[(R)-(4-fluorophenyl)-methoxymethyl]benzamide
CID 134941213
N-[phenyl(propan-2-yloxy)methyl]benzamide
CID 15112184
Benzyl benzoylcarbamate
CID 14266440
N-[1,1,1,3,3,3-hexafluoro-2-[(4-fluorophenyl)methoxy]propan-2-yl]benzamide
CID 2817604
5-[3-(Benzyloxy)propyl]-2-fluorobenzamide
CID 72860381
5-[2-(Benzyloxy)ethyl]-2-fluorobenzamide
CID 72940692
benzyl N-(2-fluorobenzoyl)carbamate
CID 4136699
N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethyl-N'-(1-phenylmethoxyethenyl)benzohydrazide
CID 67951847
N-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide
CID 69603602

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylmethoxyethenyl]-4-fluorobenzamide?
The IUPAC name of N-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylmethoxyethenyl]-4-fluorobenzamide (CID 143726688) is N-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylmethoxyethenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylmethoxyethenyl]-4-fluorobenzamide?
The canonical SMILES for N-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylmethoxyethenyl]-4-fluorobenzamide is O=C(N/C(=C\C1=CC=CCC1)OCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylmethoxyethenyl]-4-fluorobenzamide?
The InChIKey is YEYLQLPWIQMEIT-RCCKNPSSSA-N. The full InChI is InChI=1S/C22H20FNO2/c23-20-13-11-19(12-14-20)22(25)24-21(15-17-7-3-1-4-8-17)26-16-18-9-5-2-6-10-18/h1-3,5-7,9-15H,4,8,16H2,(H,24,25)/b21-15+.
What are the key properties of N-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylmethoxyethenyl]-4-fluorobenzamide?
N-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylmethoxyethenyl]-4-fluorobenzamide has a molecular weight of 349.41 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylmethoxyethenyl]-4-fluorobenzamide is sourced from PubChem (CID 143726688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).