2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]-6-methylbenzamide

C18H17FN2O3 — CID 103597998

IUPAC2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]-6-methylbenzamide
SMILESCOc1ccc(C=CC(=O)Nc2cccc(C)c2C(N)=O)cc1F
InChIInChI=1S/C18H17FN2O3/c1-11-4-3-5-14(17(11)18(20)23)21-16(22)9-7-12-6-8-15(24-2)13(19)10-12/h3-10H,1-2H3,(H2,20,23)(H,21,22)
InChIKeyRAKWJIUGWKBHHM-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.89
Rot. Bonds5

About 2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]-6-methylbenzamide

2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]-6-methylbenzamide (PubChem CID 103597998) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]-6-methylbenzamide.

Molecular Properties

Compound Name2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]-6-methylbenzamide
PubChem CID103597998
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]-6-methylbenzamide
SMILESCOc1ccc(C=CC(=O)Nc2cccc(C)c2C(N)=O)cc1F
InChIInChI=1S/C18H17FN2O3/c1-11-4-3-5-14(17(11)18(20)23)21-16(22)9-7-12-6-8-15(24-2)13(19)10-12/h3-10H,1-2H3,(H2,20,23)(H,21,22)
InChIKeyRAKWJIUGWKBHHM-UHFFFAOYSA-N
XLogP2.89
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]-6-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]benzamide
CID 73391551
(E)-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 46636723
(E)-3-(3-fluoro-4-methoxyphenyl)-N-quinolin-8-ylprop-2-enamide
CID 18200446
3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-methylbenzamide
CID 34585271
(E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 39387255
2-chloro-6-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]benzoic acid
CID 77378923
(E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 39423073
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide
CID 82723472
3-(4-methoxy-3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 5083479
(E)-3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 9033187
(E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 39419191
(E)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 55639593

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]-6-methylbenzamide?
The IUPAC name of 2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]-6-methylbenzamide (CID 103597998) is 2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]-6-methylbenzamide.
What is the SMILES notation for 2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]-6-methylbenzamide?
The canonical SMILES for 2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]-6-methylbenzamide is COc1ccc(C=CC(=O)Nc2cccc(C)c2C(N)=O)cc1F.
What is the InChIKey of 2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]-6-methylbenzamide?
The InChIKey is RAKWJIUGWKBHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-11-4-3-5-14(17(11)18(20)23)21-16(22)9-7-12-6-8-15(24-2)13(19)10-12/h3-10H,1-2H3,(H2,20,23)(H,21,22).
What are the key properties of 2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]-6-methylbenzamide?
2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]-6-methylbenzamide has a molecular weight of 328.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]-6-methylbenzamide is sourced from PubChem (CID 103597998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).