N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide

C18H22Cl2N4O4 — CID 24515219

IUPACN-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C18H22Cl2N4O4/c1-18(2)16(27)24(17(28)22-18)8-4-5-15(26)23(3)10-14(25)21-11-6-7-12(19)13(20)9-11/h6-7,9H,4-5,8,10H2,1-3H3,(H,21,25)(H,22,28)
InChIKeyDPCYMEADGABYIV-UHFFFAOYSA-N
MW429.30 g/mol
LogP2.50
Rot. Bonds7

About N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide (PubChem CID 24515219) has the molecular formula C18H22Cl2N4O4 and a molecular weight of 429.30 g/mol. Its IUPAC name is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide.

Molecular Properties

Compound NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide
PubChem CID24515219
Molecular FormulaC18H22Cl2N4O4
Molecular Weight429.30 g/mol
Exact Mass428.10
IUPAC NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C18H22Cl2N4O4/c1-18(2)16(27)24(17(28)22-18)8-4-5-15(26)23(3)10-14(25)21-11-6-7-12(19)13(20)9-11/h6-7,9H,4-5,8,10H2,1-3H3,(H,21,25)(H,22,28)
InChIKeyDPCYMEADGABYIV-UHFFFAOYSA-N
XLogP2.50
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-methylamino]acetamide
CID 60509196
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7993697
N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]benzamide
CID 39758297
[2-(4-chloroanilino)-2-oxoethyl] 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 8703230
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-quinolin-6-ylbutanamide
CID 78887675
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-quinolin-7-ylbutanamide
CID 166280199
N-[2-(4-chlorophenoxy)ethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide
CID 47008586
[2-(3,4-dimethylanilino)-2-oxoethyl] 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 8703181
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 31183028
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2,4-dimethylphenyl)methyl]-N-methylbutanamide
CID 18117086
N-[3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide
CID 38769575
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide
CID 18109840

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide?
The IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide (CID 24515219) is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide.
What is the SMILES notation for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide?
The canonical SMILES for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CCCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide?
The InChIKey is DPCYMEADGABYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O4/c1-18(2)16(27)24(17(28)22-18)8-4-5-15(26)23(3)10-14(25)21-11-6-7-12(19)13(20)9-11/h6-7,9H,4-5,8,10H2,1-3H3,(H,21,25)(H,22,28).
What are the key properties of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide?
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide has a molecular weight of 429.30 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide is sourced from PubChem (CID 24515219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).