N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-2-phenylacetamide

C19H20N4O3 — CID 126013378

IUPACN-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C\c1cc([N+](=O)[O-])ccc1N1CCCC1
InChIInChI=1S/C19H20N4O3/c24-19(12-15-6-2-1-3-7-15)21-20-14-16-13-17(23(25)26)8-9-18(16)22-10-4-5-11-22/h1-3,6-9,13-14H,4-5,10-12H2,(H,21,24)/b20-14-
InChIKeyKWLDPLDNLVPICS-ZHZULCJRSA-N
MW352.39 g/mol
LogP2.89
Rot. Bonds6

About N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-2-phenylacetamide

N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-2-phenylacetamide (PubChem CID 126013378) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-2-phenylacetamide
PubChem CID126013378
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C\c1cc([N+](=O)[O-])ccc1N1CCCC1
InChIInChI=1S/C19H20N4O3/c24-19(12-15-6-2-1-3-7-15)21-20-14-16-13-17(23(25)26)8-9-18(16)22-10-4-5-11-22/h1-3,6-9,13-14H,4-5,10-12H2,(H,21,24)/b20-14-
InChIKeyKWLDPLDNLVPICS-ZHZULCJRSA-N
XLogP2.89
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide
CID 2824719
4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate
CID 6955397
2-(2-methoxyphenoxy)-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]acetamide
CID 126002244
[(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]thiourea
CID 3604814
2-[(4-chlorophenyl)methylsulfanyl]-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]acetamide
CID 126006483
[(E)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]thiourea
CID 98005259
N-[(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 3478213
N-[[2-(azepan-1-yl)-5-nitrophenyl]methylideneamino]-2-(4-tert-butylphenoxy)acetamide
CID 4520791
2-(2-bromo-4-methylanilino)-N-[(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 4982686
2-(2,4-dichlorophenoxy)-N-[(E)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]acetamide
CID 56694365
N-[(Z)-[2-(azepan-1-yl)-5-nitrophenyl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 92652307
3-(2-hydroxyphenyl)-N-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitrophenyl]methylideneamino]propanamide
CID 7122998

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-2-phenylacetamide (CID 126013378) is N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-2-phenylacetamide is O=C(Cc1ccccc1)N/N=C\c1cc([N+](=O)[O-])ccc1N1CCCC1.
What is the InChIKey of N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is KWLDPLDNLVPICS-ZHZULCJRSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-19(12-15-6-2-1-3-7-15)21-20-14-16-13-17(23(25)26)8-9-18(16)22-10-4-5-11-22/h1-3,6-9,13-14H,4-5,10-12H2,(H,21,24)/b20-14-.
What are the key properties of N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-2-phenylacetamide?
N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-2-phenylacetamide has a molecular weight of 352.39 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 126013378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).