N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide

C19H16Cl2N4O4 — CID 5079637

IUPACN-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
SMILESO=C(CN1CC(c2ccccc2)CC1=O)NN=Cc1cc([N+](=O)[O-])c(Cl)cc1Cl
InChIInChI=1S/C19H16Cl2N4O4/c20-15-8-16(21)17(25(28)29)6-13(15)9-22-23-18(26)11-24-10-14(7-19(24)27)12-4-2-1-3-5-12/h1-6,8-9,14H,7,10-11H2,(H,23,26)
InChIKeyICDNQKOLPTXCMQ-UHFFFAOYSA-N
MW435.27 g/mol
LogP3.37
Rot. Bonds6

About N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide

N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide (PubChem CID 5079637) has the molecular formula C19H16Cl2N4O4 and a molecular weight of 435.27 g/mol. Its IUPAC name is N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
PubChem CID5079637
Molecular FormulaC19H16Cl2N4O4
Molecular Weight435.27 g/mol
Exact Mass434.05
IUPAC NameN-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
SMILESO=C(CN1CC(c2ccccc2)CC1=O)NN=Cc1cc([N+](=O)[O-])c(Cl)cc1Cl
InChIInChI=1S/C19H16Cl2N4O4/c20-15-8-16(21)17(25(28)29)6-13(15)9-22-23-18(26)11-24-10-14(7-19(24)27)12-4-2-1-3-5-12/h1-6,8-9,14H,7,10-11H2,(H,23,26)
InChIKeyICDNQKOLPTXCMQ-UHFFFAOYSA-N
XLogP3.37
TPSA104.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.27
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

N-[(Z)-(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 27003765
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 27153975
N-[(4-methoxyphenyl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 1237733
[2-(2-nitroanilino)-2-oxoethyl] 2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetate
CID 7303356
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 135685437
N-[(2-chlorophenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 4291716
N-(2-ethylphenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 4198758
2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 781884
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 6899811
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1381839
2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide;hydrochloride
CID 170974229
2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 126228664

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide (CID 5079637) is N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide is O=C(CN1CC(c2ccccc2)CC1=O)NN=Cc1cc([N+](=O)[O-])c(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide?
The InChIKey is ICDNQKOLPTXCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O4/c20-15-8-16(21)17(25(28)29)6-13(15)9-22-23-18(26)11-24-10-14(7-19(24)27)12-4-2-1-3-5-12/h1-6,8-9,14H,7,10-11H2,(H,23,26).
What are the key properties of N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide?
N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide has a molecular weight of 435.27 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 5079637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).