3-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide

C23H21FN2O — CID 76868208

IUPAC3-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESCc1ccccc1CN(Cc1cccnc1)C(=O)C=Cc1cccc(F)c1
InChIInChI=1S/C23H21FN2O/c1-18-6-2-3-9-21(18)17-26(16-20-8-5-13-25-15-20)23(27)12-11-19-7-4-10-22(24)14-19/h2-15H,16-17H2,1H3
InChIKeyIVVWKYNONPYVHL-UHFFFAOYSA-N
MW360.43 g/mol
LogP4.77
Rot. Bonds6

About 3-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide

3-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide (PubChem CID 76868208) has the molecular formula C23H21FN2O and a molecular weight of 360.43 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
PubChem CID76868208
Molecular FormulaC23H21FN2O
Molecular Weight360.43 g/mol
Exact Mass360.16
IUPAC Name3-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESCc1ccccc1CN(Cc1cccnc1)C(=O)C=Cc1cccc(F)c1
InChIInChI=1S/C23H21FN2O/c1-18-6-2-3-9-21(18)17-26(16-20-8-5-13-25-15-20)23(27)12-11-19-7-4-10-22(24)14-19/h2-15H,16-17H2,1H3
InChIKeyIVVWKYNONPYVHL-UHFFFAOYSA-N
XLogP4.77
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide (CID 76868208) is 3-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide is Cc1ccccc1CN(Cc1cccnc1)C(=O)C=Cc1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide?
The InChIKey is IVVWKYNONPYVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O/c1-18-6-2-3-9-21(18)17-26(16-20-8-5-13-25-15-20)23(27)12-11-19-7-4-10-22(24)14-19/h2-15H,16-17H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide?
3-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide has a molecular weight of 360.43 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide is sourced from PubChem (CID 76868208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).