1-[(Z)-4-(N-amino-3-chloroanilino)-4-(3,5-difluorophenyl)-2-methylidenebut-3-enoyl]imidazolidin-4-one

C20H17ClF2N4O2 — CID 89149968

IUPAC1-[(Z)-4-(N-amino-3-chloroanilino)-4-(3,5-difluorophenyl)-2-methylidenebut-3-enoyl]imidazolidin-4-one
SMILESC=C(/C=C(/c1cc(F)cc(F)c1)N(N)c1cccc(Cl)c1)C(=O)N1CNC(=O)C1
InChIInChI=1S/C20H17ClF2N4O2/c1-12(20(29)26-10-19(28)25-11-26)5-18(13-6-15(22)9-16(23)7-13)27(24)17-4-2-3-14(21)8-17/h2-9H,1,10-11,24H2,(H,25,28)/b18-5-
InChIKeyGUINMZVORUNUBS-DVZOWYKESA-N
MW418.83 g/mol
LogP2.81
Rot. Bonds5

About 1-[(Z)-4-(N-amino-3-chloroanilino)-4-(3,5-difluorophenyl)-2-methylidenebut-3-enoyl]imidazolidin-4-one

1-[(Z)-4-(N-amino-3-chloroanilino)-4-(3,5-difluorophenyl)-2-methylidenebut-3-enoyl]imidazolidin-4-one (PubChem CID 89149968) has the molecular formula C20H17ClF2N4O2 and a molecular weight of 418.83 g/mol. Its IUPAC name is 1-[(Z)-4-(N-amino-3-chloroanilino)-4-(3,5-difluorophenyl)-2-methylidenebut-3-enoyl]imidazolidin-4-one.

Molecular Properties

Compound Name1-[(Z)-4-(N-amino-3-chloroanilino)-4-(3,5-difluorophenyl)-2-methylidenebut-3-enoyl]imidazolidin-4-one
PubChem CID89149968
Molecular FormulaC20H17ClF2N4O2
Molecular Weight418.83 g/mol
Exact Mass418.10
IUPAC Name1-[(Z)-4-(N-amino-3-chloroanilino)-4-(3,5-difluorophenyl)-2-methylidenebut-3-enoyl]imidazolidin-4-one
SMILESC=C(/C=C(/c1cc(F)cc(F)c1)N(N)c1cccc(Cl)c1)C(=O)N1CNC(=O)C1
InChIInChI=1S/C20H17ClF2N4O2/c1-12(20(29)26-10-19(28)25-11-26)5-18(13-6-15(22)9-16(23)7-13)27(24)17-4-2-3-14(21)8-17/h2-9H,1,10-11,24H2,(H,25,28)/b18-5-
InChIKeyGUINMZVORUNUBS-DVZOWYKESA-N
XLogP2.81
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.83
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-[(Z)-4-(N-amino-3-chloroanilino)-4-(3,5-difluorophenyl)-2-methylidenebut-3-enoyl]imidazolidin-4-one 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 1-[(Z)-4-(N-amino-3-chloroanilino)-4-(3,5-difluorophenyl)-2-methylidenebut-3-enoyl]imidazolidin-4-one?
The IUPAC name of 1-[(Z)-4-(N-amino-3-chloroanilino)-4-(3,5-difluorophenyl)-2-methylidenebut-3-enoyl]imidazolidin-4-one (CID 89149968) is 1-[(Z)-4-(N-amino-3-chloroanilino)-4-(3,5-difluorophenyl)-2-methylidenebut-3-enoyl]imidazolidin-4-one.
What is the SMILES notation for 1-[(Z)-4-(N-amino-3-chloroanilino)-4-(3,5-difluorophenyl)-2-methylidenebut-3-enoyl]imidazolidin-4-one?
The canonical SMILES for 1-[(Z)-4-(N-amino-3-chloroanilino)-4-(3,5-difluorophenyl)-2-methylidenebut-3-enoyl]imidazolidin-4-one is C=C(/C=C(/c1cc(F)cc(F)c1)N(N)c1cccc(Cl)c1)C(=O)N1CNC(=O)C1.
What is the InChIKey of 1-[(Z)-4-(N-amino-3-chloroanilino)-4-(3,5-difluorophenyl)-2-methylidenebut-3-enoyl]imidazolidin-4-one?
The InChIKey is GUINMZVORUNUBS-DVZOWYKESA-N. The full InChI is InChI=1S/C20H17ClF2N4O2/c1-12(20(29)26-10-19(28)25-11-26)5-18(13-6-15(22)9-16(23)7-13)27(24)17-4-2-3-14(21)8-17/h2-9H,1,10-11,24H2,(H,25,28)/b18-5-.
What are the key properties of 1-[(Z)-4-(N-amino-3-chloroanilino)-4-(3,5-difluorophenyl)-2-methylidenebut-3-enoyl]imidazolidin-4-one?
1-[(Z)-4-(N-amino-3-chloroanilino)-4-(3,5-difluorophenyl)-2-methylidenebut-3-enoyl]imidazolidin-4-one has a molecular weight of 418.83 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-4-(N-amino-3-chloroanilino)-4-(3,5-difluorophenyl)-2-methylidenebut-3-enoyl]imidazolidin-4-one is sourced from PubChem (CID 89149968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).