N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-1-methylimidazole-2-carboxamide

C20H15ClN4O3 — CID 127025845

IUPACN-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-1-methylimidazole-2-carboxamide
SMILESCc1cccc2c1C(=O)N(c1ccc(NC(=O)c3nccn3C)cc1Cl)C2=O
InChIInChI=1S/C20H15ClN4O3/c1-11-4-3-5-13-16(11)20(28)25(19(13)27)15-7-6-12(10-14(15)21)23-18(26)17-22-8-9-24(17)2/h3-10H,1-2H3,(H,23,26)
InChIKeyOWDJNJLAMWJGMX-UHFFFAOYSA-N
MW394.82 g/mol
LogP3.43
Rot. Bonds3

About N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-1-methylimidazole-2-carboxamide

N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-1-methylimidazole-2-carboxamide (PubChem CID 127025845) has the molecular formula C20H15ClN4O3 and a molecular weight of 394.82 g/mol. Its IUPAC name is N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-1-methylimidazole-2-carboxamide
PubChem CID127025845
Molecular FormulaC20H15ClN4O3
Molecular Weight394.82 g/mol
Exact Mass394.08
IUPAC NameN-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-1-methylimidazole-2-carboxamide
SMILESCc1cccc2c1C(=O)N(c1ccc(NC(=O)c3nccn3C)cc1Cl)C2=O
InChIInChI=1S/C20H15ClN4O3/c1-11-4-3-5-13-16(11)20(28)25(19(13)27)15-7-6-12(10-14(15)21)23-18(26)17-22-8-9-24(17)2/h3-10H,1-2H3,(H,23,26)
InChIKeyOWDJNJLAMWJGMX-UHFFFAOYSA-N
XLogP3.43
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-chloro-4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]-1-methylimidazole-2-carboxamide
CID 127028298
N-[3-chloro-4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
CID 122193177
N-[4-(4-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide
CID 4186370
N-[3-chloro-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide
CID 45110764
N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]pyridine-2-carboxamide
CID 45110261
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55778860
2,5-dichloro-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]thiophene-3-carboxamide
CID 55778635
3-[(1-methylimidazole-2-carbonyl)amino]benzoic acid
CID 110467287
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78889380
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-cyclopentylsulfanylpyridine-3-carboxamide
CID 55872578
N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pyridine-2-carboxamide
CID 45110009
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-5-methylsulfonylfuran-2-carboxamide
CID 122193167

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-1-methylimidazole-2-carboxamide (CID 127025845) is N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-1-methylimidazole-2-carboxamide is Cc1cccc2c1C(=O)N(c1ccc(NC(=O)c3nccn3C)cc1Cl)C2=O.
What is the InChIKey of N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-1-methylimidazole-2-carboxamide?
The InChIKey is OWDJNJLAMWJGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O3/c1-11-4-3-5-13-16(11)20(28)25(19(13)27)15-7-6-12(10-14(15)21)23-18(26)17-22-8-9-24(17)2/h3-10H,1-2H3,(H,23,26).
What are the key properties of N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-1-methylimidazole-2-carboxamide?
N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-1-methylimidazole-2-carboxamide has a molecular weight of 394.82 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 127025845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).