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

C29H24FNO — CID 171061420

IUPACN-[(E)-4-(4-fluorophenyl)-1,1-diphenylbut-3-enyl]benzamide
SMILESO=C(NC(C/C=C/c1ccc(F)cc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H24FNO/c30-27-20-18-23(19-21-27)11-10-22-29(25-14-6-2-7-15-25,26-16-8-3-9-17-26)31-28(32)24-12-4-1-5-13-24/h1-21H,22H2,(H,31,32)/b11-10+
InChIKeyMVIKTZFBONDLHM-ZHACJKMWSA-N
MW421.52 g/mol
LogP6.60
Rot. Bonds7

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

N-[(E)-4-(4-fluorophenyl)-1,1-diphenylbut-3-enyl]benzamide (PubChem CID 171061420) has the molecular formula C29H24FNO and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[(E)-4-(4-fluorophenyl)-1,1-diphenylbut-3-enyl]benzamide.

Molecular Properties

Compound NameN-[(E)-4-(4-fluorophenyl)-1,1-diphenylbut-3-enyl]benzamide
PubChem CID171061420
Molecular FormulaC29H24FNO
Molecular Weight421.52 g/mol
Exact Mass421.18
IUPAC NameN-[(E)-4-(4-fluorophenyl)-1,1-diphenylbut-3-enyl]benzamide
SMILESO=C(NC(C/C=C/c1ccc(F)cc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H24FNO/c30-27-20-18-23(19-21-27)11-10-22-29(25-14-6-2-7-15-25,26-16-8-3-9-17-26)31-28(32)24-12-4-1-5-13-24/h1-21H,22H2,(H,31,32)/b11-10+
InChIKeyMVIKTZFBONDLHM-ZHACJKMWSA-N
XLogP6.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.52
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]benzamide
CID 166628260
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
N-[1-(2-methoxyphenyl)-1-phenylbut-3-enyl]benzamide
CID 171061426
benzoic acid;4-fluorobenzaldehyde
CID 159074063
methyl 2-benzamido-2-dimethoxyphosphoryl-2-(4-fluorophenyl)acetate
CID 5153617
2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid
CID 761263
methyl 3-[2-[[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryl-difluoromethyl]phenyl]methyl]-1-(4-fluorophenyl)-1-oxo-5-phenylpent-4-en-2-yl]benzoate
CID 91616531
2-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzoic acid
CID 122391746
N-[4-[[3-(4-fluorophenyl)prop-2-enoylamino]carbamoyl]phenyl]benzamide
CID 3299354
4-(3-methylbut-1-enyl)-N-(2-phenylpropan-2-yl)benzamide
CID 72568586
N-[(4-fluorophenyl)methylidene]benzamide
CID 10966224
N-[(Z)-3-amino-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 7380729

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-(4-fluorophenyl)-1,1-diphenylbut-3-enyl]benzamide?
The IUPAC name of N-[(E)-4-(4-fluorophenyl)-1,1-diphenylbut-3-enyl]benzamide (CID 171061420) is N-[(E)-4-(4-fluorophenyl)-1,1-diphenylbut-3-enyl]benzamide.
What is the SMILES notation for N-[(E)-4-(4-fluorophenyl)-1,1-diphenylbut-3-enyl]benzamide?
The canonical SMILES for N-[(E)-4-(4-fluorophenyl)-1,1-diphenylbut-3-enyl]benzamide is O=C(NC(C/C=C/c1ccc(F)cc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-4-(4-fluorophenyl)-1,1-diphenylbut-3-enyl]benzamide?
The InChIKey is MVIKTZFBONDLHM-ZHACJKMWSA-N. The full InChI is InChI=1S/C29H24FNO/c30-27-20-18-23(19-21-27)11-10-22-29(25-14-6-2-7-15-25,26-16-8-3-9-17-26)31-28(32)24-12-4-1-5-13-24/h1-21H,22H2,(H,31,32)/b11-10+.
What are the key properties of N-[(E)-4-(4-fluorophenyl)-1,1-diphenylbut-3-enyl]benzamide?
N-[(E)-4-(4-fluorophenyl)-1,1-diphenylbut-3-enyl]benzamide has a molecular weight of 421.52 g/mol, XLogP of 6.60, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-(4-fluorophenyl)-1,1-diphenylbut-3-enyl]benzamide is sourced from PubChem (CID 171061420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).