N-[(E)-but-2-enyl]-3-(3,5-difluorophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

C22H22F2N2O2 — CID 145029884

IUPACN-[(E)-but-2-enyl]-3-(3,5-difluorophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
SMILESC/C=C/CNC(=O)C(Cc1cc(F)cc(F)c1)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C22H22F2N2O2/c1-2-3-11-25-22(28)20(14-17-12-18(23)15-19(24)13-17)26-21(27)10-9-16-7-5-4-6-8-16/h2-10,12-13,15,20H,11,14H2,1H3,(H,25,28)(H,26,27)/b3-2+,10-9+
InChIKeyUNWDLYDSJAKLKD-SCIPBJTFSA-N
MW384.43 g/mol
LogP3.40
Rot. Bonds8

About N-[(E)-but-2-enyl]-3-(3,5-difluorophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

N-[(E)-but-2-enyl]-3-(3,5-difluorophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide (PubChem CID 145029884) has the molecular formula C22H22F2N2O2 and a molecular weight of 384.43 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-3-(3,5-difluorophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-3-(3,5-difluorophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
PubChem CID145029884
Molecular FormulaC22H22F2N2O2
Molecular Weight384.43 g/mol
Exact Mass384.16
IUPAC NameN-[(E)-but-2-enyl]-3-(3,5-difluorophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
SMILESC/C=C/CNC(=O)C(Cc1cc(F)cc(F)c1)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C22H22F2N2O2/c1-2-3-11-25-22(28)20(14-17-12-18(23)15-19(24)13-17)26-21(27)10-9-16-7-5-4-6-8-16/h2-10,12-13,15,20H,11,14H2,1H3,(H,25,28)(H,26,27)/b3-2+,10-9+
InChIKeyUNWDLYDSJAKLKD-SCIPBJTFSA-N
XLogP3.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E)-but-2-enyl]-3-(3,5-difluorophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-3-(3,5-difluorophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The IUPAC name of N-[(E)-but-2-enyl]-3-(3,5-difluorophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide (CID 145029884) is N-[(E)-but-2-enyl]-3-(3,5-difluorophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-3-(3,5-difluorophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The canonical SMILES for N-[(E)-but-2-enyl]-3-(3,5-difluorophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide is C/C=C/CNC(=O)C(Cc1cc(F)cc(F)c1)NC(=O)/C=C/c1ccccc1.
What is the InChIKey of N-[(E)-but-2-enyl]-3-(3,5-difluorophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The InChIKey is UNWDLYDSJAKLKD-SCIPBJTFSA-N. The full InChI is InChI=1S/C22H22F2N2O2/c1-2-3-11-25-22(28)20(14-17-12-18(23)15-19(24)13-17)26-21(27)10-9-16-7-5-4-6-8-16/h2-10,12-13,15,20H,11,14H2,1H3,(H,25,28)(H,26,27)/b3-2+,10-9+.
What are the key properties of N-[(E)-but-2-enyl]-3-(3,5-difluorophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
N-[(E)-but-2-enyl]-3-(3,5-difluorophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide has a molecular weight of 384.43 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-3-(3,5-difluorophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide is sourced from PubChem (CID 145029884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).