N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide

C16H18Cl2N4O3 — CID 9213512

IUPACN-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
SMILESC/C(=N/NC(=O)CCN1C(=O)NC(C)(C)C1=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H18Cl2N4O3/c1-9(11-8-10(17)4-5-12(11)18)20-21-13(23)6-7-22-14(24)16(2,3)19-15(22)25/h4-5,8H,6-7H2,1-3H3,(H,19,25)(H,21,23)/b20-9-
InChIKeyGBUKHZDBAPROEX-UKWGHVSLSA-N
MW385.25 g/mol
LogP2.55
Rot. Bonds5

About N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide

N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide (PubChem CID 9213512) has the molecular formula C16H18Cl2N4O3 and a molecular weight of 385.25 g/mol. Its IUPAC name is N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
PubChem CID9213512
Molecular FormulaC16H18Cl2N4O3
Molecular Weight385.25 g/mol
Exact Mass384.08
IUPAC NameN-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
SMILESC/C(=N/NC(=O)CCN1C(=O)NC(C)(C)C1=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H18Cl2N4O3/c1-9(11-8-10(17)4-5-12(11)18)20-21-13(23)6-7-22-14(24)16(2,3)19-15(22)25/h4-5,8H,6-7H2,1-3H3,(H,19,25)(H,21,23)/b20-9-
InChIKeyGBUKHZDBAPROEX-UKWGHVSLSA-N
XLogP2.55
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 135577156
N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9213505
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-1-(2-methylphenyl)ethylideneamino]propanamide
CID 9214057
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]propanamide
CID 9213385
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-1-(4-methoxynaphthalen-1-yl)ethylideneamino]propanamide
CID 9214359
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9213764
N-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9214116
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-1-(4-fluorophenyl)propylideneamino]propanamide
CID 9213702
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428850
N-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 135577184
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide
CID 60656567
[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 8657607

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The IUPAC name of N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide (CID 9213512) is N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide.
What is the SMILES notation for N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The canonical SMILES for N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide is C/C(=N/NC(=O)CCN1C(=O)NC(C)(C)C1=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The InChIKey is GBUKHZDBAPROEX-UKWGHVSLSA-N. The full InChI is InChI=1S/C16H18Cl2N4O3/c1-9(11-8-10(17)4-5-12(11)18)20-21-13(23)6-7-22-14(24)16(2,3)19-15(22)25/h4-5,8H,6-7H2,1-3H3,(H,19,25)(H,21,23)/b20-9-.
What are the key properties of N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide has a molecular weight of 385.25 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide is sourced from PubChem (CID 9213512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).