N-tert-butyl-4-[(1E,3Z)-4-fluorobuta-1,3-dienyl]benzamide

C15H18FNO — CID 175908847

IUPACN-tert-butyl-4-[(1E,3Z)-4-fluorobuta-1,3-dienyl]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(/C=C/C=C\F)cc1
InChIInChI=1S/C15H18FNO/c1-15(2,3)17-14(18)13-9-7-12(8-10-13)6-4-5-11-16/h4-11H,1-3H3,(H,17,18)/b6-4+,11-5-
InChIKeyHUAZNPGKHQJIDG-XEUXBCEPSA-N
MW247.31 g/mol
LogP3.71
Rot. Bonds3

About N-tert-butyl-4-[(1E,3Z)-4-fluorobuta-1,3-dienyl]benzamide

N-tert-butyl-4-[(1E,3Z)-4-fluorobuta-1,3-dienyl]benzamide (PubChem CID 175908847) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is N-tert-butyl-4-[(1E,3Z)-4-fluorobuta-1,3-dienyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[(1E,3Z)-4-fluorobuta-1,3-dienyl]benzamide
PubChem CID175908847
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC NameN-tert-butyl-4-[(1E,3Z)-4-fluorobuta-1,3-dienyl]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(/C=C/C=C\F)cc1
InChIInChI=1S/C15H18FNO/c1-15(2,3)17-14(18)13-9-7-12(8-10-13)6-4-5-11-16/h4-11H,1-3H3,(H,17,18)/b6-4+,11-5-
InChIKeyHUAZNPGKHQJIDG-XEUXBCEPSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-4-(3,3-dimethylbut-1-enyl)benzamide
CID 72568780
4-[(1E,3E)-3-(aminomethyl)-4-fluorobuta-1,3-dienyl]-N-tert-butylbenzamide;hydrochloride
CID 142524350
N-tert-butyl-4-[(E)-3-methylbut-1-enyl]benzamide
CID 59811412
N-tert-butyl-4-(125I)iodo(125I)benzamide
CID 177457231
4-[(1E,3E)-4-(4-carboxyphenyl)buta-1,3-dienyl]benzoic acid
CID 20519037
4-[4-(tert-butylcarbamoyl)benzoyl]benzoic acid
CID 10892724
N-tert-butyl-4-carbamothioylbenzamide
CID 24710015
(E)-N-tert-butyl-3-(4-fluorophenyl)prop-2-enamide
CID 923522
methyl 4-[(E)-3-(tert-butylamino)-3-oxoprop-1-enyl]benzoate
CID 7987964
N-(2-aminoethyl)-4-[(1E,3E)-4-[4-[[(2S)-2-amino-1-(hydroxyamino)-1-oxopropan-2-yl]carbamoyl]phenyl]buta-1,3-dienyl]benzamide
CID 142781005
4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 47437380
3-[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 76928627

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(1E,3Z)-4-fluorobuta-1,3-dienyl]benzamide?
The IUPAC name of N-tert-butyl-4-[(1E,3Z)-4-fluorobuta-1,3-dienyl]benzamide (CID 175908847) is N-tert-butyl-4-[(1E,3Z)-4-fluorobuta-1,3-dienyl]benzamide.
What is the SMILES notation for N-tert-butyl-4-[(1E,3Z)-4-fluorobuta-1,3-dienyl]benzamide?
The canonical SMILES for N-tert-butyl-4-[(1E,3Z)-4-fluorobuta-1,3-dienyl]benzamide is CC(C)(C)NC(=O)c1ccc(/C=C/C=C\F)cc1.
What is the InChIKey of N-tert-butyl-4-[(1E,3Z)-4-fluorobuta-1,3-dienyl]benzamide?
The InChIKey is HUAZNPGKHQJIDG-XEUXBCEPSA-N. The full InChI is InChI=1S/C15H18FNO/c1-15(2,3)17-14(18)13-9-7-12(8-10-13)6-4-5-11-16/h4-11H,1-3H3,(H,17,18)/b6-4+,11-5-.
What are the key properties of N-tert-butyl-4-[(1E,3Z)-4-fluorobuta-1,3-dienyl]benzamide?
N-tert-butyl-4-[(1E,3Z)-4-fluorobuta-1,3-dienyl]benzamide has a molecular weight of 247.31 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[(1E,3Z)-4-fluorobuta-1,3-dienyl]benzamide is sourced from PubChem (CID 175908847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).