N-(4-acetamido-3-chlorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

C19H17ClN4O4 — CID 25471176

IUPACN-(4-acetamido-3-chlorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cc1Cl
InChIInChI=1S/C19H17ClN4O4/c1-11(25)22-16-7-6-14(8-15(16)20)23-18(27)13-4-2-12(3-5-13)10-24-17(26)9-21-19(24)28/h2-8H,9-10H2,1H3,(H,21,28)(H,22,25)(H,23,27)
InChIKeyQFRHWNOTCYAAKY-UHFFFAOYSA-N
MW400.82 g/mol
LogP2.60
Rot. Bonds5

About N-(4-acetamido-3-chlorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

N-(4-acetamido-3-chlorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (PubChem CID 25471176) has the molecular formula C19H17ClN4O4 and a molecular weight of 400.82 g/mol. Its IUPAC name is N-(4-acetamido-3-chlorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(4-acetamido-3-chlorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
PubChem CID25471176
Molecular FormulaC19H17ClN4O4
Molecular Weight400.82 g/mol
Exact Mass400.09
IUPAC NameN-(4-acetamido-3-chlorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cc1Cl
InChIInChI=1S/C19H17ClN4O4/c1-11(25)22-16-7-6-14(8-15(16)20)23-18(27)13-4-2-12(3-5-13)10-24-17(26)9-21-19(24)28/h2-8H,9-10H2,1H3,(H,21,28)(H,22,25)(H,23,27)
InChIKeyQFRHWNOTCYAAKY-UHFFFAOYSA-N
XLogP2.60
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.82
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethoxyphenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 17430256
4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 26017430
N-(3-chloro-2-methylphenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 34857655
N-[3,5-bis(trifluoromethyl)phenyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 34199236
N-(4-bromo-2-fluorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 60593281
N-(2-acetamido-5-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 47086337
N-(4-acetamido-3-chlorophenyl)-3,4-difluorobenzamide
CID 41305249
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 41048405
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55710849
N-(4-acetamido-3-chlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 25469263
4-bromo-2-chloro-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide
CID 60509721
N-(2-butan-2-ylpyrazol-3-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 78829285

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-chlorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(4-acetamido-3-chlorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (CID 25471176) is N-(4-acetamido-3-chlorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(4-acetamido-3-chlorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(4-acetamido-3-chlorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is CC(=O)Nc1ccc(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cc1Cl.
What is the InChIKey of N-(4-acetamido-3-chlorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The InChIKey is QFRHWNOTCYAAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4/c1-11(25)22-16-7-6-14(8-15(16)20)23-18(27)13-4-2-12(3-5-13)10-24-17(26)9-21-19(24)28/h2-8H,9-10H2,1H3,(H,21,28)(H,22,25)(H,23,27).
What are the key properties of N-(4-acetamido-3-chlorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
N-(4-acetamido-3-chlorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide has a molecular weight of 400.82 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-chlorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 25471176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).