N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(4-nitrophenyl)acetamide

C18H14ClN3O3 — CID 56535926

IUPACN-(4-chloro-2-pyrrol-1-ylphenyl)-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1-n1cccc1
InChIInChI=1S/C18H14ClN3O3/c19-14-5-8-16(17(12-14)21-9-1-2-10-21)20-18(23)11-13-3-6-15(7-4-13)22(24)25/h1-10,12H,11H2,(H,20,23)
InChIKeyFLIXBLXCCYQHTQ-UHFFFAOYSA-N
MW355.78 g/mol
LogP4.22
Rot. Bonds5

About N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(4-nitrophenyl)acetamide

N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(4-nitrophenyl)acetamide (PubChem CID 56535926) has the molecular formula C18H14ClN3O3 and a molecular weight of 355.78 g/mol. Its IUPAC name is N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyrrol-1-ylphenyl)-2-(4-nitrophenyl)acetamide
PubChem CID56535926
Molecular FormulaC18H14ClN3O3
Molecular Weight355.78 g/mol
Exact Mass355.07
IUPAC NameN-(4-chloro-2-pyrrol-1-ylphenyl)-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1-n1cccc1
InChIInChI=1S/C18H14ClN3O3/c19-14-5-8-16(17(12-14)21-9-1-2-10-21)20-18(23)11-13-3-6-15(7-4-13)22(24)25/h1-10,12H,11H2,(H,20,23)
InChIKeyFLIXBLXCCYQHTQ-UHFFFAOYSA-N
XLogP4.22
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-pyrrol-1-ylphenyl)-2-phenylacetamide
CID 56582364
4-chloro-2-[[2-(4-nitrophenyl)acetyl]amino]benzoate
CID 7372821
N-(2-chloro-5-nitrophenyl)-2-(4-chlorophenyl)acetamide
CID 4048119
N-(4-chloro-2-pyrrol-1-ylphenyl)pentanamide
CID 56530685
2-(4-chlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4639208
N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 26264303
2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2892197
N-[(2,4-dichlorophenyl)methyl]-2-(4-nitrophenyl)acetamide
CID 9218215
N-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide
CID 115577532
N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 772340
N-(2-chloro-3-pyridinyl)-2-(4-nitrophenyl)acetamide
CID 5216204
N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
CID 3300746

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(4-nitrophenyl)acetamide (CID 56535926) is N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1-n1cccc1.
What is the InChIKey of N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(4-nitrophenyl)acetamide?
The InChIKey is FLIXBLXCCYQHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3/c19-14-5-8-16(17(12-14)21-9-1-2-10-21)20-18(23)11-13-3-6-15(7-4-13)22(24)25/h1-10,12H,11H2,(H,20,23).
What are the key properties of N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(4-nitrophenyl)acetamide?
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(4-nitrophenyl)acetamide has a molecular weight of 355.78 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 56535926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).