4-chloro-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-pyrrole-2-carboxamide

C15H13ClN4O3 — CID 31121107

IUPAC4-chloro-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-pyrrole-2-carboxamide
SMILESC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc(Cl)c[nH]2)C1=O
InChIInChI=1S/C15H13ClN4O3/c1-15(9-5-3-2-4-6-9)13(22)20(14(23)18-15)19-12(21)11-7-10(16)8-17-11/h2-8,17H,1H3,(H,18,23)(H,19,21)/t15-/m1/s1
InChIKeyVFOSUXWKMHGKSZ-OAHLLOKOSA-N
MW332.75 g/mol
LogP1.78
Rot. Bonds3

About 4-chloro-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-pyrrole-2-carboxamide

4-chloro-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-pyrrole-2-carboxamide (PubChem CID 31121107) has the molecular formula C15H13ClN4O3 and a molecular weight of 332.75 g/mol. Its IUPAC name is 4-chloro-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-pyrrole-2-carboxamide
PubChem CID31121107
Molecular FormulaC15H13ClN4O3
Molecular Weight332.75 g/mol
Exact Mass332.07
IUPAC Name4-chloro-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-pyrrole-2-carboxamide
SMILESC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc(Cl)c[nH]2)C1=O
InChIInChI=1S/C15H13ClN4O3/c1-15(9-5-3-2-4-6-9)13(22)20(14(23)18-15)19-12(21)11-7-10(16)8-17-11/h2-8,17H,1H3,(H,18,23)(H,19,21)/t15-/m1/s1
InChIKeyVFOSUXWKMHGKSZ-OAHLLOKOSA-N
XLogP1.78
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-pyrrole-2-carboxamide
CID 31121106
4-bromo-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-pyrrole-2-carboxamide
CID 36779625
2-bromo-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide
CID 8879406
3,5-dimethoxy-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide
CID 8879493
5-(4-chlorophenyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide
CID 41119642
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
CID 47099545
3-chloro-4,5-dimethoxy-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
CID 52990929
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-(trifluoromethyl)benzamide
CID 84861598
5-methyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide
CID 33147475
6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid
CID 167859701
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
CID 55369820
2-benzyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1,3-dioxoisoindole-5-carboxamide
CID 55342530

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-pyrrole-2-carboxamide (CID 31121107) is 4-chloro-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-pyrrole-2-carboxamide is C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc(Cl)c[nH]2)C1=O.
What is the InChIKey of 4-chloro-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is VFOSUXWKMHGKSZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H13ClN4O3/c1-15(9-5-3-2-4-6-9)13(22)20(14(23)18-15)19-12(21)11-7-10(16)8-17-11/h2-8,17H,1H3,(H,18,23)(H,19,21)/t15-/m1/s1.
What are the key properties of 4-chloro-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 332.75 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 31121107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).