N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide

C18H18FNO3 — CID 17413361

IUPACN-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2ccccc2F)cc(OC)c1OC
InChIInChI=1S/C18H18FNO3/c1-4-7-12-10-13(11-16(22-2)17(12)23-3)18(21)20-15-9-6-5-8-14(15)19/h4-6,8-11H,1,7H2,2-3H3,(H,20,21)
InChIKeyUGBQBABZLLWLDP-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.82
Rot. Bonds6

About N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide

N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide (PubChem CID 17413361) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
PubChem CID17413361
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC NameN-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2ccccc2F)cc(OC)c1OC
InChIInChI=1S/C18H18FNO3/c1-4-7-12-10-13(11-16(22-2)17(12)23-3)18(21)20-15-9-6-5-8-14(15)19/h4-6,8-11H,1,7H2,2-3H3,(H,20,21)
InChIKeyUGBQBABZLLWLDP-UHFFFAOYSA-N
XLogP3.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 31841522
N-(2-acetylphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 31842136
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 119440133
3,4-dimethoxy-5-prop-2-enyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 35359192
N-(2-fluorophenyl)-3-iodo-4,5-dimethoxybenzamide
CID 4552214
methyl 3-[(3,4-dimethoxy-5-prop-2-enylbenzoyl)amino]thiophene-2-carboxylate
CID 43034629
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 55677135
3,4-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-5-prop-2-enylbenzamide
CID 27813309
3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide
CID 35806874
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 27256082
N-[1-(3,4-difluorophenyl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 24532069
3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide
CID 43035063

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide?
The IUPAC name of N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide (CID 17413361) is N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide.
What is the SMILES notation for N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide?
The canonical SMILES for N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)Nc2ccccc2F)cc(OC)c1OC.
What is the InChIKey of N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide?
The InChIKey is UGBQBABZLLWLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-4-7-12-10-13(11-16(22-2)17(12)23-3)18(21)20-15-9-6-5-8-14(15)19/h4-6,8-11H,1,7H2,2-3H3,(H,20,21).
What are the key properties of N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide?
N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide has a molecular weight of 315.34 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide is sourced from PubChem (CID 17413361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).