4-chloro-N-[4-[[3-(4-methoxyphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-3-pyridinyl]benzamide

C23H19ClN4O4 — CID 140812855

IUPAC4-chloro-N-[4-[[3-(4-methoxyphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-3-pyridinyl]benzamide
SMILESCOc1ccc(N2C(=O)CN(Cc3ccncc3NC(=O)c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C23H19ClN4O4/c1-32-19-8-6-18(7-9-19)28-21(29)14-27(23(28)31)13-16-10-11-25-12-20(16)26-22(30)15-2-4-17(24)5-3-15/h2-12H,13-14H2,1H3,(H,26,30)
InChIKeyQNNJTZZSARRWJE-UHFFFAOYSA-N
MW450.88 g/mol
LogP3.96
Rot. Bonds6

About 4-chloro-N-[4-[[3-(4-methoxyphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-3-pyridinyl]benzamide

4-chloro-N-[4-[[3-(4-methoxyphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-3-pyridinyl]benzamide (PubChem CID 140812855) has the molecular formula C23H19ClN4O4 and a molecular weight of 450.88 g/mol. Its IUPAC name is 4-chloro-N-[4-[[3-(4-methoxyphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[[3-(4-methoxyphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-3-pyridinyl]benzamide
PubChem CID140812855
Molecular FormulaC23H19ClN4O4
Molecular Weight450.88 g/mol
Exact Mass450.11
IUPAC Name4-chloro-N-[4-[[3-(4-methoxyphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-3-pyridinyl]benzamide
SMILESCOc1ccc(N2C(=O)CN(Cc3ccncc3NC(=O)c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C23H19ClN4O4/c1-32-19-8-6-18(7-9-19)28-21(29)14-27(23(28)31)13-16-10-11-25-12-20(16)26-22(30)15-2-4-17(24)5-3-15/h2-12H,13-14H2,1H3,(H,26,30)
InChIKeyQNNJTZZSARRWJE-UHFFFAOYSA-N
XLogP3.96
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.88
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[[3-(4-methoxyphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-3-pyridinyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[[3-(4-methoxyphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-3-pyridinyl]benzamide (CID 140812855) is 4-chloro-N-[4-[[3-(4-methoxyphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-3-pyridinyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[[3-(4-methoxyphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-3-pyridinyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[[3-(4-methoxyphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-3-pyridinyl]benzamide is COc1ccc(N2C(=O)CN(Cc3ccncc3NC(=O)c3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of 4-chloro-N-[4-[[3-(4-methoxyphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-3-pyridinyl]benzamide?
The InChIKey is QNNJTZZSARRWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O4/c1-32-19-8-6-18(7-9-19)28-21(29)14-27(23(28)31)13-16-10-11-25-12-20(16)26-22(30)15-2-4-17(24)5-3-15/h2-12H,13-14H2,1H3,(H,26,30).
What are the key properties of 4-chloro-N-[4-[[3-(4-methoxyphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-3-pyridinyl]benzamide?
4-chloro-N-[4-[[3-(4-methoxyphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-3-pyridinyl]benzamide has a molecular weight of 450.88 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[[3-(4-methoxyphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-3-pyridinyl]benzamide is sourced from PubChem (CID 140812855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).