N-[4-[4-(2,5-dioxopyrrolidin-1-yl)-2-nitroanilino]phenyl]acetamide

C18H16N4O5 — CID 46374503

IUPACN-[4-[4-(2,5-dioxopyrrolidin-1-yl)-2-nitroanilino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccc(N3C(=O)CCC3=O)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H16N4O5/c1-11(23)19-12-2-4-13(5-3-12)20-15-7-6-14(10-16(15)22(26)27)21-17(24)8-9-18(21)25/h2-7,10,20H,8-9H2,1H3,(H,19,23)
InChIKeyJOAJOIOLIJZVPP-UHFFFAOYSA-N
MW368.35 g/mol
LogP2.95
Rot. Bonds5

About N-[4-[4-(2,5-dioxopyrrolidin-1-yl)-2-nitroanilino]phenyl]acetamide

N-[4-[4-(2,5-dioxopyrrolidin-1-yl)-2-nitroanilino]phenyl]acetamide (PubChem CID 46374503) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is N-[4-[4-(2,5-dioxopyrrolidin-1-yl)-2-nitroanilino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2,5-dioxopyrrolidin-1-yl)-2-nitroanilino]phenyl]acetamide
PubChem CID46374503
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC NameN-[4-[4-(2,5-dioxopyrrolidin-1-yl)-2-nitroanilino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccc(N3C(=O)CCC3=O)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H16N4O5/c1-11(23)19-12-2-4-13(5-3-12)20-15-7-6-14(10-16(15)22(26)27)21-17(24)8-9-18(21)25/h2-7,10,20H,8-9H2,1H3,(H,19,23)
InChIKeyJOAJOIOLIJZVPP-UHFFFAOYSA-N
XLogP2.95
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-acetamidoanilino)-3-nitrobenzenesulfonic acid
CID 23470647
N-[4-[2-nitro-4-(trifluoromethyl)anilino]phenyl]acetamide
CID 4657864
(1R,2S,6R,7R)-4-[4-(4-methylanilino)-3-nitrophenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98365011
N-[4-(5-chloro-2-nitroanilino)phenyl]acetamide
CID 71236809
1-[3-nitro-4-(prop-2-enylamino)phenyl]piperidine-2,6-dione
CID 24761538
(1R,2R,6R,7R)-4-[4-(2,3-dihydro-1H-inden-5-ylamino)-3-nitrophenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124775256
4-(4-methyl-2-nitroanilino)benzoic acid
CID 43172016
(3aR,7aR)-2-[4-(3,4-dimethoxyanilino)-3-nitrophenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 92697417
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-nitrophenyl)benzamide
CID 2891364
(1R,2S,6S,7R)-4-[4-(3-methylanilino)-3-nitrophenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98365219
1-[4-[2-(2-fluorophenyl)ethylamino]-3-nitrophenyl]pyrrolidine-2,5-dione
CID 15994505
N-(5-acetamido-2-methylphenyl)-4-anilino-3-nitrobenzamide
CID 55691880

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,5-dioxopyrrolidin-1-yl)-2-nitroanilino]phenyl]acetamide?
The IUPAC name of N-[4-[4-(2,5-dioxopyrrolidin-1-yl)-2-nitroanilino]phenyl]acetamide (CID 46374503) is N-[4-[4-(2,5-dioxopyrrolidin-1-yl)-2-nitroanilino]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(2,5-dioxopyrrolidin-1-yl)-2-nitroanilino]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(2,5-dioxopyrrolidin-1-yl)-2-nitroanilino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2ccc(N3C(=O)CCC3=O)cc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[4-[4-(2,5-dioxopyrrolidin-1-yl)-2-nitroanilino]phenyl]acetamide?
The InChIKey is JOAJOIOLIJZVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O5/c1-11(23)19-12-2-4-13(5-3-12)20-15-7-6-14(10-16(15)22(26)27)21-17(24)8-9-18(21)25/h2-7,10,20H,8-9H2,1H3,(H,19,23).
What are the key properties of N-[4-[4-(2,5-dioxopyrrolidin-1-yl)-2-nitroanilino]phenyl]acetamide?
N-[4-[4-(2,5-dioxopyrrolidin-1-yl)-2-nitroanilino]phenyl]acetamide has a molecular weight of 368.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,5-dioxopyrrolidin-1-yl)-2-nitroanilino]phenyl]acetamide is sourced from PubChem (CID 46374503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).