N-(3-chloro-4-cyanophenyl)-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide

C19H15ClN4O3 — CID 46696995

IUPACN-(3-chloro-4-cyanophenyl)-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide
SMILESCC1C(=O)N(CC(=O)Nc2ccc(C#N)c(Cl)c2)C(=O)N1c1ccccc1
InChIInChI=1S/C19H15ClN4O3/c1-12-18(26)23(19(27)24(12)15-5-3-2-4-6-15)11-17(25)22-14-8-7-13(10-21)16(20)9-14/h2-9,12H,11H2,1H3,(H,22,25)
InChIKeyWMONIIXRJZMZSP-UHFFFAOYSA-N
MW382.81 g/mol
LogP3.01
Rot. Bonds4

About N-(3-chloro-4-cyanophenyl)-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide

N-(3-chloro-4-cyanophenyl)-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide (PubChem CID 46696995) has the molecular formula C19H15ClN4O3 and a molecular weight of 382.81 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide
PubChem CID46696995
Molecular FormulaC19H15ClN4O3
Molecular Weight382.81 g/mol
Exact Mass382.08
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide
SMILESCC1C(=O)N(CC(=O)Nc2ccc(C#N)c(Cl)c2)C(=O)N1c1ccccc1
InChIInChI=1S/C19H15ClN4O3/c1-12-18(26)23(19(27)24(12)15-5-3-2-4-6-15)11-17(25)22-14-8-7-13(10-21)16(20)9-14/h2-9,12H,11H2,1H3,(H,22,25)
InChIKeyWMONIIXRJZMZSP-UHFFFAOYSA-N
XLogP3.01
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(cyanomethyl)phenyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide
CID 46696889
2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 46698957
N-(3-chloro-4-fluorophenyl)-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7870174
2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 46809674
(3R,6R)-1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide
CID 95151655
N-(3-chloro-4-cyanophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7181965
N-(3,4-difluorophenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18275689
N-(3-chloro-4-cyanophenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46647504
2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 2455847
N-(2-chloro-4-fluorophenyl)-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51182666
N-(3-chloro-4-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 2685105
2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 46809668

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide (CID 46696995) is N-(3-chloro-4-cyanophenyl)-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide is CC1C(=O)N(CC(=O)Nc2ccc(C#N)c(Cl)c2)C(=O)N1c1ccccc1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide?
The InChIKey is WMONIIXRJZMZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3/c1-12-18(26)23(19(27)24(12)15-5-3-2-4-6-15)11-17(25)22-14-8-7-13(10-21)16(20)9-14/h2-9,12H,11H2,1H3,(H,22,25).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide?
N-(3-chloro-4-cyanophenyl)-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide has a molecular weight of 382.81 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 46696995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).