4-methyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-nitrobenzamide

C18H16N4O5 — CID 51949356

IUPAC4-methyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-nitrobenzamide
SMILESCc1ccc(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H16N4O5/c1-10-6-7-11(8-14(10)22(26)27)15(23)19-13-5-3-4-12(9-13)18(2)16(24)20-17(25)21-18/h3-9H,1-2H3,(H,19,23)(H2,20,21,24,25)/t18-/m0/s1
InChIKeyFKDGYXJZNBNPSW-SFHVURJKSA-N
MW368.35 g/mol
LogP2.21
Rot. Bonds4

About 4-methyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-nitrobenzamide

4-methyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-nitrobenzamide (PubChem CID 51949356) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is 4-methyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-methyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-nitrobenzamide
PubChem CID51949356
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC Name4-methyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-nitrobenzamide
SMILESCc1ccc(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H16N4O5/c1-10-6-7-11(8-14(10)22(26)27)15(23)19-13-5-3-4-12(9-13)18(2)16(24)20-17(25)21-18/h3-9H,1-2H3,(H,19,23)(H2,20,21,24,25)/t18-/m0/s1
InChIKeyFKDGYXJZNBNPSW-SFHVURJKSA-N
XLogP2.21
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-3-nitrobenzamide
CID 55735554
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-nitrobenzamide
CID 51951646
N-(3-iodophenyl)-4-methyl-3-nitrobenzamide
CID 18076816
2-methoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-nitrobenzamide
CID 55735610
N-[3-(1-hydroxyethyl)phenyl]-4-methyl-3-nitrobenzamide
CID 4099768
2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-methylsulfanylbenzamide
CID 55735649
5-bromo-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carboxamide
CID 51949297
N-(3-ethylphenyl)-4-methyl-3-nitrobenzamide
CID 844839
N-[3-(hydroxymethyl)phenyl]-4-methyl-3-nitrobenzamide
CID 60629918
3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide
CID 154850134
4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide
CID 122159303
2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
CID 119728481

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-nitrobenzamide?
The IUPAC name of 4-methyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-nitrobenzamide (CID 51949356) is 4-methyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-nitrobenzamide.
What is the SMILES notation for 4-methyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-nitrobenzamide?
The canonical SMILES for 4-methyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-nitrobenzamide is Cc1ccc(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-nitrobenzamide?
The InChIKey is FKDGYXJZNBNPSW-SFHVURJKSA-N. The full InChI is InChI=1S/C18H16N4O5/c1-10-6-7-11(8-14(10)22(26)27)15(23)19-13-5-3-4-12(9-13)18(2)16(24)20-17(25)21-18/h3-9H,1-2H3,(H,19,23)(H2,20,21,24,25)/t18-/m0/s1.
What are the key properties of 4-methyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-nitrobenzamide?
4-methyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-nitrobenzamide has a molecular weight of 368.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-nitrobenzamide is sourced from PubChem (CID 51949356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).