N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-(2,3,4-trimethoxyphenyl)propanamide

C22H26FNO4 — CID 55921283

IUPACN-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESC=CCN(Cc1ccccc1F)C(=O)CCc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C22H26FNO4/c1-5-14-24(15-17-8-6-7-9-18(17)23)20(25)13-11-16-10-12-19(26-2)22(28-4)21(16)27-3/h5-10,12H,1,11,13-15H2,2-4H3
InChIKeySRBKKCJGFGKIEQ-UHFFFAOYSA-N
MW387.45 g/mol
LogP4.00
Rot. Bonds10

About N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-(2,3,4-trimethoxyphenyl)propanamide

N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-(2,3,4-trimethoxyphenyl)propanamide (PubChem CID 55921283) has the molecular formula C22H26FNO4 and a molecular weight of 387.45 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-(2,3,4-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-(2,3,4-trimethoxyphenyl)propanamide
PubChem CID55921283
Molecular FormulaC22H26FNO4
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC NameN-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESC=CCN(Cc1ccccc1F)C(=O)CCc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C22H26FNO4/c1-5-14-24(15-17-8-6-7-9-18(17)23)20(25)13-11-16-10-12-19(26-2)22(28-4)21(16)27-3/h5-10,12H,1,11,13-15H2,2-4H3
InChIKeySRBKKCJGFGKIEQ-UHFFFAOYSA-N
XLogP4.00
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[(2-fluorophenyl)methyl]-N-prop-2-enylheptanamide
CID 119746541
N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
CID 84571244
N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55870983
3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]propanoic acid
CID 122019259
methyl N-[3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]phenyl]carbamate
CID 87035283
N-methyl-N-(pyridin-3-ylmethyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 86822666
1-[2-(2-fluorophenyl)ethyl]-4-methoxynaphthalene
CID 175737781
2-chloro-N-[(2-ethoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 39366816
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55904497
2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
CID 86824770
N-[(2,3-dimethoxyphenyl)methyl]-2-oxo-N-prop-2-enylimidazolidine-1-carboxamide
CID 3762747
N-[(2,4-dimethoxyphenyl)methyl]-N-prop-2-enylbut-3-enamide
CID 24796878

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-(2,3,4-trimethoxyphenyl)propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-(2,3,4-trimethoxyphenyl)propanamide (CID 55921283) is N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-(2,3,4-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-(2,3,4-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-(2,3,4-trimethoxyphenyl)propanamide is C=CCN(Cc1ccccc1F)C(=O)CCc1ccc(OC)c(OC)c1OC.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-(2,3,4-trimethoxyphenyl)propanamide?
The InChIKey is SRBKKCJGFGKIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO4/c1-5-14-24(15-17-8-6-7-9-18(17)23)20(25)13-11-16-10-12-19(26-2)22(28-4)21(16)27-3/h5-10,12H,1,11,13-15H2,2-4H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-(2,3,4-trimethoxyphenyl)propanamide?
N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-(2,3,4-trimethoxyphenyl)propanamide has a molecular weight of 387.45 g/mol, XLogP of 4.00, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-(2,3,4-trimethoxyphenyl)propanamide is sourced from PubChem (CID 55921283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).