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

C17H14N4O5 — CID 51951646

IUPACN-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-nitrobenzamide
SMILESC[C@]1(c2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)NC(=O)NC1=O
InChIInChI=1S/C17H14N4O5/c1-17(15(23)19-16(24)20-17)10-5-4-6-11(9-10)18-14(22)12-7-2-3-8-13(12)21(25)26/h2-9H,1H3,(H,18,22)(H2,19,20,23,24)/t17-/m1/s1
InChIKeyQMQCACUPFYTFPY-QGZVFWFLSA-N
MW354.32 g/mol
LogP1.90
Rot. Bonds4

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

N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-nitrobenzamide (PubChem CID 51951646) has the molecular formula C17H14N4O5 and a molecular weight of 354.32 g/mol. Its IUPAC name is N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-nitrobenzamide
PubChem CID51951646
Molecular FormulaC17H14N4O5
Molecular Weight354.32 g/mol
Exact Mass354.10
IUPAC NameN-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-nitrobenzamide
SMILESC[C@]1(c2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)NC(=O)NC1=O
InChIInChI=1S/C17H14N4O5/c1-17(15(23)19-16(24)20-17)10-5-4-6-11(9-10)18-14(22)12-7-2-3-8-13(12)21(25)26/h2-9H,1H3,(H,18,22)(H2,19,20,23,24)/t17-/m1/s1
InChIKeyQMQCACUPFYTFPY-QGZVFWFLSA-N
XLogP1.90
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 51.90
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-methyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-nitrobenzamide
CID 51949356
2-methoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-nitrobenzamide
CID 55735610
N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-(2-nitrophenoxy)acetamide
CID 55722650
4-ethoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-3-nitrobenzamide
CID 55735554
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide
CID 122159303
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
2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
CID 119728481
N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-4-nitrobenzenesulfonamide
CID 55735673
2-nitro-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154668
2-nitro-N-pyridin-4-ylbenzamide
CID 766646

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-nitrobenzamide?
The IUPAC name of N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-nitrobenzamide (CID 51951646) is N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-nitrobenzamide.
What is the SMILES notation for N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-nitrobenzamide?
The canonical SMILES for N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-nitrobenzamide is C[C@]1(c2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)NC(=O)NC1=O.
What is the InChIKey of N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-nitrobenzamide?
The InChIKey is QMQCACUPFYTFPY-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H14N4O5/c1-17(15(23)19-16(24)20-17)10-5-4-6-11(9-10)18-14(22)12-7-2-3-8-13(12)21(25)26/h2-9H,1H3,(H,18,22)(H2,19,20,23,24)/t17-/m1/s1.
What are the key properties of N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-nitrobenzamide?
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-nitrobenzamide has a molecular weight of 354.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-nitrobenzamide is sourced from PubChem (CID 51951646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).