N-(3-chloro-4-fluorophenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C19H17ClFN3O3 — CID 4313632

IUPACN-(3-chloro-4-fluorophenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(N2C(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)C2C)cc1
InChIInChI=1S/C19H17ClFN3O3/c1-11-3-6-14(7-4-11)24-12(2)18(26)23(19(24)27)10-17(25)22-13-5-8-16(21)15(20)9-13/h3-9,12H,10H2,1-2H3,(H,22,25)
InChIKeyKDSTVMKBKVSMQF-UHFFFAOYSA-N
MW389.81 g/mol
LogP3.58
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-(3-chloro-4-fluorophenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 4313632) has the molecular formula C19H17ClFN3O3 and a molecular weight of 389.81 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID4313632
Molecular FormulaC19H17ClFN3O3
Molecular Weight389.81 g/mol
Exact Mass389.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(N2C(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)C2C)cc1
InChIInChI=1S/C19H17ClFN3O3/c1-11-3-6-14(7-4-11)24-12(2)18(26)23(19(24)27)10-17(25)22-13-5-8-16(21)15(20)9-13/h3-9,12H,10H2,1-2H3,(H,22,25)
InChIKeyKDSTVMKBKVSMQF-UHFFFAOYSA-N
XLogP3.58
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 4313632) is N-(3-chloro-4-fluorophenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)C2C)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is KDSTVMKBKVSMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O3/c1-11-3-6-14(7-4-11)24-12(2)18(26)23(19(24)27)10-17(25)22-13-5-8-16(21)15(20)9-13/h3-9,12H,10H2,1-2H3,(H,22,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 389.81 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 4313632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).