N-(2-fluoro-5-methylphenyl)-2,3-diphenylprop-2-enamide

C22H18FNO — CID 4565641

IUPACN-(2-fluoro-5-methylphenyl)-2,3-diphenylprop-2-enamide
SMILESCc1ccc(F)c(NC(=O)C(=Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H18FNO/c1-16-12-13-20(23)21(14-16)24-22(25)19(18-10-6-3-7-11-18)15-17-8-4-2-5-9-17/h2-15H,1H3,(H,24,25)
InChIKeyRGIIDSULNCDYSO-UHFFFAOYSA-N
MW331.39 g/mol
LogP5.31
Rot. Bonds4

About N-(2-fluoro-5-methylphenyl)-2,3-diphenylprop-2-enamide

N-(2-fluoro-5-methylphenyl)-2,3-diphenylprop-2-enamide (PubChem CID 4565641) has the molecular formula C22H18FNO and a molecular weight of 331.39 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-2,3-diphenylprop-2-enamide
PubChem CID4565641
Molecular FormulaC22H18FNO
Molecular Weight331.39 g/mol
Exact Mass331.14
IUPAC NameN-(2-fluoro-5-methylphenyl)-2,3-diphenylprop-2-enamide
SMILESCc1ccc(F)c(NC(=O)C(=Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H18FNO/c1-16-12-13-20(23)21(14-16)24-22(25)19(18-10-6-3-7-11-18)15-17-8-4-2-5-9-17/h2-15H,1H3,(H,24,25)
InChIKeyRGIIDSULNCDYSO-UHFFFAOYSA-N
XLogP5.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.39
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide
CID 6512373
(E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide
CID 731540
(Z)-N-(2-methoxy-4-methylphenyl)-2,3-diphenylprop-2-enamide
CID 6140104
(E)-N-(4-chloro-2-methylphenyl)-2,3-diphenylprop-2-enamide
CID 19174131
(E)-N-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1321037
(E)-N-(2,5-dichlorophenyl)-2,3-diphenylprop-2-enamide
CID 6526443
(E)-N-(2-bromophenyl)-2-(4-methylphenyl)-3-phenylprop-2-enamide
CID 175523507
N-(5-chloro-2-methoxyphenyl)-2,3-diphenylprop-2-enamide
CID 5085648
2,3-diphenyl-N-(2,4,5-trichlorophenyl)prop-2-enamide
CID 4287283
3-(2-chlorophenyl)-N-(2,5-dimethylphenyl)-2-phenylprop-2-enamide
CID 2915971
3-[(2-fluoro-5-methylphenyl)carbamoyl]benzoic acid
CID 43452946
ethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoate
CID 19165915

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-2,3-diphenylprop-2-enamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-2,3-diphenylprop-2-enamide (CID 4565641) is N-(2-fluoro-5-methylphenyl)-2,3-diphenylprop-2-enamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-2,3-diphenylprop-2-enamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-2,3-diphenylprop-2-enamide is Cc1ccc(F)c(NC(=O)C(=Cc2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-2,3-diphenylprop-2-enamide?
The InChIKey is RGIIDSULNCDYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO/c1-16-12-13-20(23)21(14-16)24-22(25)19(18-10-6-3-7-11-18)15-17-8-4-2-5-9-17/h2-15H,1H3,(H,24,25).
What are the key properties of N-(2-fluoro-5-methylphenyl)-2,3-diphenylprop-2-enamide?
N-(2-fluoro-5-methylphenyl)-2,3-diphenylprop-2-enamide has a molecular weight of 331.39 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 4565641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).