N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-oxo-3H-phthalazine-1-carboxamide

C19H15N5O4 — CID 52613811

IUPACN-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESC[C@@]1(c2cccc(NC(=O)c3n[nH]c(=O)c4ccccc34)c2)NC(=O)NC1=O
InChIInChI=1S/C19H15N5O4/c1-19(17(27)21-18(28)22-19)10-5-4-6-11(9-10)20-16(26)14-12-7-2-3-8-13(12)15(25)24-23-14/h2-9H,1H3,(H,20,26)(H,24,25)(H2,21,22,27,28)/t19-/m0/s1
InChIKeyNTDOZQMEMGYYCP-IBGZPJMESA-N
MW377.36 g/mol
LogP1.23
Rot. Bonds3

About N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-oxo-3H-phthalazine-1-carboxamide

N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 52613811) has the molecular formula C19H15N5O4 and a molecular weight of 377.36 g/mol. Its IUPAC name is N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID52613811
Molecular FormulaC19H15N5O4
Molecular Weight377.36 g/mol
Exact Mass377.11
IUPAC NameN-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESC[C@@]1(c2cccc(NC(=O)c3n[nH]c(=O)c4ccccc34)c2)NC(=O)NC1=O
InChIInChI=1S/C19H15N5O4/c1-19(17(27)21-18(28)22-19)10-5-4-6-11(9-10)20-16(26)14-12-7-2-3-8-13(12)15(25)24-23-14/h2-9H,1H3,(H,20,26)(H,24,25)(H2,21,22,27,28)/t19-/m0/s1
InChIKeyNTDOZQMEMGYYCP-IBGZPJMESA-N
XLogP1.23
TPSA133.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]thiophene-2-carboxamide
CID 51983587
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-nitrobenzamide
CID 51951646
5-bromo-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carboxamide
CID 51949297
4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide
CID 122159303
N-[3-(morpholine-4-carbonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 55868165
2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
CID 119728481
N-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163290
N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163288
2-amino-3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide
CID 119292140
7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide
CID 119728470
2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-methylsulfanylbenzamide
CID 55735649
N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 39027087

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 52613811) is N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-oxo-3H-phthalazine-1-carboxamide is C[C@@]1(c2cccc(NC(=O)c3n[nH]c(=O)c4ccccc34)c2)NC(=O)NC1=O.
What is the InChIKey of N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is NTDOZQMEMGYYCP-IBGZPJMESA-N. The full InChI is InChI=1S/C19H15N5O4/c1-19(17(27)21-18(28)22-19)10-5-4-6-11(9-10)20-16(26)14-12-7-2-3-8-13(12)15(25)24-23-14/h2-9H,1H3,(H,20,26)(H,24,25)(H2,21,22,27,28)/t19-/m0/s1.
What are the key properties of N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 377.36 g/mol, XLogP of 1.23, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 52613811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).