(E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)prop-2-enamide

C24H19FN2O3 — CID 2371085

IUPAC(E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)cc2)cc1
InChIInChI=1S/C24H19FN2O3/c1-29-21-12-8-20(9-13-21)27-24(28)19(15-26)14-17-6-10-22(11-7-17)30-16-18-4-2-3-5-23(18)25/h2-14H,16H2,1H3,(H,27,28)/b19-14+
InChIKeyYEYZJMMDJYUHOU-XMHGGMMESA-N
MW402.43 g/mol
LogP4.96
Rot. Bonds7

About (E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)prop-2-enamide

(E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)prop-2-enamide (PubChem CID 2371085) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is (E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)prop-2-enamide
PubChem CID2371085
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name(E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)cc2)cc1
InChIInChI=1S/C24H19FN2O3/c1-29-21-12-8-20(9-13-21)27-24(28)19(15-26)14-17-6-10-22(11-7-17)30-16-18-4-2-3-5-23(18)25/h2-14H,16H2,1H3,(H,27,28)/b19-14+
InChIKeyYEYZJMMDJYUHOU-XMHGGMMESA-N
XLogP4.96
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)prop-2-enamide 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

VU0357121
CID 2296132
4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
(2Z)-2-cyano-N-(3'-ethoxybiphenyl-4-yl)-3-hydroxybut-2-enamide
CID 54727985
Benzamide, N-(4-ethoxyphenyl)-
CID 203878
N-(4-Ethoxyphenyl)-4-methoxybenzamide
CID 584690
(6S)-N-(4-Methoxyphenyl)-4-(4-methylphenyl)-2-oxo-6-[4-[3-(trifluoromethyl)propoxy]phenyl]-6-trifluoromethyl-1,2,5,6-tetrahydropyridine-3-carboxamide
CID 71582673
N-(Cinnamoyl)-4-methoxyaniline
CID 690965
(2S)-2-amino-N-[4-(benzyloxy)phenyl]propanamide
CID 22690542
4-[4-(Benzyloxy)anilino]-4-oxobut-2-enoic acid
CID 711768
N-(3-fluoro-4-methylphenyl)-3-(2-methylphenoxy)propanamide
CID 808409
N-(2-Fluoro-5-methyl-phenyl)-3-o-tolyloxy-propionamide
CID 808417
2-[(4-fluorobenzyl)oxy]-N-phenylbenzamide
CID 977943

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)prop-2-enamide (CID 2371085) is (E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)prop-2-enamide is COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)cc2)cc1.
What is the InChIKey of (E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is YEYZJMMDJYUHOU-XMHGGMMESA-N. The full InChI is InChI=1S/C24H19FN2O3/c1-29-21-12-8-20(9-13-21)27-24(28)19(15-26)14-17-6-10-22(11-7-17)30-16-18-4-2-3-5-23(18)25/h2-14H,16H2,1H3,(H,27,28)/b19-14+.
What are the key properties of (E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)prop-2-enamide?
(E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 402.43 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2371085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).