4-[(E)-3,3-dimethylbut-1-enyl]-N-[(3-fluorophenyl)methyl]benzamide

C20H22FNO — CID 59811458

IUPAC4-[(E)-3,3-dimethylbut-1-enyl]-N-[(3-fluorophenyl)methyl]benzamide
SMILESCC(C)(C)/C=C/c1ccc(C(=O)NCc2cccc(F)c2)cc1
InChIInChI=1S/C20H22FNO/c1-20(2,3)12-11-15-7-9-17(10-8-15)19(23)22-14-16-5-4-6-18(21)13-16/h4-13H,14H2,1-3H3,(H,22,23)/b12-11+
InChIKeyOZJOCPABUGMTTL-VAWYXSNFSA-N
MW311.40 g/mol
LogP4.82
Rot. Bonds4

About 4-[(E)-3,3-dimethylbut-1-enyl]-N-[(3-fluorophenyl)methyl]benzamide

4-[(E)-3,3-dimethylbut-1-enyl]-N-[(3-fluorophenyl)methyl]benzamide (PubChem CID 59811458) has the molecular formula C20H22FNO and a molecular weight of 311.40 g/mol. Its IUPAC name is 4-[(E)-3,3-dimethylbut-1-enyl]-N-[(3-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(E)-3,3-dimethylbut-1-enyl]-N-[(3-fluorophenyl)methyl]benzamide
PubChem CID59811458
Molecular FormulaC20H22FNO
Molecular Weight311.40 g/mol
Exact Mass311.17
IUPAC Name4-[(E)-3,3-dimethylbut-1-enyl]-N-[(3-fluorophenyl)methyl]benzamide
SMILESCC(C)(C)/C=C/c1ccc(C(=O)NCc2cccc(F)c2)cc1
InChIInChI=1S/C20H22FNO/c1-20(2,3)12-11-15-7-9-17(10-8-15)19(23)22-14-16-5-4-6-18(21)13-16/h4-13H,14H2,1-3H3,(H,22,23)/b12-11+
InChIKeyOZJOCPABUGMTTL-VAWYXSNFSA-N
XLogP4.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-4-(3,3-dimethylbut-1-enyl)benzamide
CID 85424416
N-[(3-fluorophenyl)methyl]-4-[(E)-pent-1-enyl]benzamide
CID 59811460
4-(ethylamino)-N-[(3-fluorophenyl)methyl]benzamide
CID 62165092
N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 87468494
N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide
CID 107022080
N-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide
CID 62165093
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 28970018
3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
CID 60893305
4-[(E)-3-methylbut-1-enyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 59811276
N-[[3-[(E)-3,3-dimethylbut-1-enyl]phenyl]methyl]propanamide
CID 72880913
3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 113244666
N-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 46586210

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3,3-dimethylbut-1-enyl]-N-[(3-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-[(E)-3,3-dimethylbut-1-enyl]-N-[(3-fluorophenyl)methyl]benzamide (CID 59811458) is 4-[(E)-3,3-dimethylbut-1-enyl]-N-[(3-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-[(E)-3,3-dimethylbut-1-enyl]-N-[(3-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-[(E)-3,3-dimethylbut-1-enyl]-N-[(3-fluorophenyl)methyl]benzamide is CC(C)(C)/C=C/c1ccc(C(=O)NCc2cccc(F)c2)cc1.
What is the InChIKey of 4-[(E)-3,3-dimethylbut-1-enyl]-N-[(3-fluorophenyl)methyl]benzamide?
The InChIKey is OZJOCPABUGMTTL-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H22FNO/c1-20(2,3)12-11-15-7-9-17(10-8-15)19(23)22-14-16-5-4-6-18(21)13-16/h4-13H,14H2,1-3H3,(H,22,23)/b12-11+.
What are the key properties of 4-[(E)-3,3-dimethylbut-1-enyl]-N-[(3-fluorophenyl)methyl]benzamide?
4-[(E)-3,3-dimethylbut-1-enyl]-N-[(3-fluorophenyl)methyl]benzamide has a molecular weight of 311.40 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3,3-dimethylbut-1-enyl]-N-[(3-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 59811458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).