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

C16H19ClN4O3 — CID 9213505

IUPACN-[(Z)-1-(3-chlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
SMILESC/C(=N/NC(=O)CCN1C(=O)NC(C)(C)C1=O)c1cccc(Cl)c1
InChIInChI=1S/C16H19ClN4O3/c1-10(11-5-4-6-12(17)9-11)19-20-13(22)7-8-21-14(23)16(2,3)18-15(21)24/h4-6,9H,7-8H2,1-3H3,(H,18,24)(H,20,22)/b19-10-
InChIKeyHEVIECVRLDILSA-GRSHGNNSSA-N
MW350.81 g/mol
LogP1.90
Rot. Bonds5

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

N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide (PubChem CID 9213505) has the molecular formula C16H19ClN4O3 and a molecular weight of 350.81 g/mol. Its IUPAC name is N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-chlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
PubChem CID9213505
Molecular FormulaC16H19ClN4O3
Molecular Weight350.81 g/mol
Exact Mass350.11
IUPAC NameN-[(Z)-1-(3-chlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
SMILESC/C(=N/NC(=O)CCN1C(=O)NC(C)(C)C1=O)c1cccc(Cl)c1
InChIInChI=1S/C16H19ClN4O3/c1-10(11-5-4-6-12(17)9-11)19-20-13(22)7-8-21-14(23)16(2,3)18-15(21)24/h4-6,9H,7-8H2,1-3H3,(H,18,24)(H,20,22)/b19-10-
InChIKeyHEVIECVRLDILSA-GRSHGNNSSA-N
XLogP1.90
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 51.90
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-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9213512
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 135577156
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
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
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-1-(4-methoxynaphthalen-1-yl)ethylideneamino]propanamide
CID 9214359
N-[(3-chlorophenyl)methyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7266322
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide
CID 9213604
3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 30551380
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide
CID 60656567

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The IUPAC name of N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide (CID 9213505) is N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide.
What is the SMILES notation for N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The canonical SMILES for N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide is C/C(=N/NC(=O)CCN1C(=O)NC(C)(C)C1=O)c1cccc(Cl)c1.
What is the InChIKey of N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The InChIKey is HEVIECVRLDILSA-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H19ClN4O3/c1-10(11-5-4-6-12(17)9-11)19-20-13(22)7-8-21-14(23)16(2,3)18-15(21)24/h4-6,9H,7-8H2,1-3H3,(H,18,24)(H,20,22)/b19-10-.
What are the key properties of N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide has a molecular weight of 350.81 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide is sourced from PubChem (CID 9213505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).