3-chloro-4,5-dimethoxy-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide

C19H18ClN3O5 — CID 52990929

IUPAC3-chloro-4,5-dimethoxy-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
SMILESCOc1cc(C(=O)NN2C(=O)NC(C)(c3ccccc3)C2=O)cc(Cl)c1OC
InChIInChI=1S/C19H18ClN3O5/c1-19(12-7-5-4-6-8-12)17(25)23(18(26)21-19)22-16(24)11-9-13(20)15(28-3)14(10-11)27-2/h4-10H,1-3H3,(H,21,26)(H,22,24)
InChIKeyMULNUVJNZQRDLL-UHFFFAOYSA-N
MW403.82 g/mol
LogP2.47
Rot. Bonds5

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

3-chloro-4,5-dimethoxy-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide (PubChem CID 52990929) has the molecular formula C19H18ClN3O5 and a molecular weight of 403.82 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
PubChem CID52990929
Molecular FormulaC19H18ClN3O5
Molecular Weight403.82 g/mol
Exact Mass403.09
IUPAC Name3-chloro-4,5-dimethoxy-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
SMILESCOc1cc(C(=O)NN2C(=O)NC(C)(c3ccccc3)C2=O)cc(Cl)c1OC
InChIInChI=1S/C19H18ClN3O5/c1-19(12-7-5-4-6-8-12)17(25)23(18(26)21-19)22-16(24)11-9-13(20)15(28-3)14(10-11)27-2/h4-10H,1-3H3,(H,21,26)(H,22,24)
InChIKeyMULNUVJNZQRDLL-UHFFFAOYSA-N
XLogP2.47
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.82
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethoxy-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide
CID 8879493
3-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4,5-dimethoxybenzamide
CID 27532791
N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8879472
4-cyclopentyloxy-3-methoxy-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
CID 55821997
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3,4,5-trimethoxybenzamide
CID 8873673
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
CID 55369820
4-chloro-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-pyrrole-2-carboxamide
CID 31121107
4-chloro-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-pyrrole-2-carboxamide
CID 31121106
N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41203446
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-(trifluoromethyl)benzamide
CID 84861598
N-(1,3-dioxoisoindol-2-yl)-3,4,5-trimethoxybenzamide
CID 1008664
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
CID 55542313

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide (CID 52990929) is 3-chloro-4,5-dimethoxy-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide is COc1cc(C(=O)NN2C(=O)NC(C)(c3ccccc3)C2=O)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide?
The InChIKey is MULNUVJNZQRDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O5/c1-19(12-7-5-4-6-8-12)17(25)23(18(26)21-19)22-16(24)11-9-13(20)15(28-3)14(10-11)27-2/h4-10H,1-3H3,(H,21,26)(H,22,24).
What are the key properties of 3-chloro-4,5-dimethoxy-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide?
3-chloro-4,5-dimethoxy-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide has a molecular weight of 403.82 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide is sourced from PubChem (CID 52990929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).