2-hydroxy-2-(4-nitrophenyl)-N-(3,4,5-trichlorophenyl)propanamide

C15H11Cl3N2O4 — CID 19603134

IUPAC2-hydroxy-2-(4-nitrophenyl)-N-(3,4,5-trichlorophenyl)propanamide
SMILESCC(O)(C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11Cl3N2O4/c1-15(22,8-2-4-10(5-3-8)20(23)24)14(21)19-9-6-11(16)13(18)12(17)7-9/h2-7,22H,1H3,(H,19,21)
InChIKeyABNCIVVJUUQVGG-UHFFFAOYSA-N
MW389.62 g/mol
LogP4.40
Rot. Bonds4

About 2-hydroxy-2-(4-nitrophenyl)-N-(3,4,5-trichlorophenyl)propanamide

2-hydroxy-2-(4-nitrophenyl)-N-(3,4,5-trichlorophenyl)propanamide (PubChem CID 19603134) has the molecular formula C15H11Cl3N2O4 and a molecular weight of 389.62 g/mol. Its IUPAC name is 2-hydroxy-2-(4-nitrophenyl)-N-(3,4,5-trichlorophenyl)propanamide.

Molecular Properties

Compound Name2-hydroxy-2-(4-nitrophenyl)-N-(3,4,5-trichlorophenyl)propanamide
PubChem CID19603134
Molecular FormulaC15H11Cl3N2O4
Molecular Weight389.62 g/mol
Exact Mass387.98
IUPAC Name2-hydroxy-2-(4-nitrophenyl)-N-(3,4,5-trichlorophenyl)propanamide
SMILESCC(O)(C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11Cl3N2O4/c1-15(22,8-2-4-10(5-3-8)20(23)24)14(21)19-9-6-11(16)13(18)12(17)7-9/h2-7,22H,1H3,(H,19,21)
InChIKeyABNCIVVJUUQVGG-UHFFFAOYSA-N
XLogP4.40
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.62
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', '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

3-amino-2,2-dimethyl-N-(4-nitrophenyl)propanamide
CID 113307498
1-[1-cyano-1-(4-nitrophenyl)ethyl]-3-(3,4-dichlorophenyl)urea
CID 11417607
4-(2,2-dimethylpropanoylamino)-N-(4-nitrophenyl)benzamide
CID 2866891
2-amino-N-(2-chloro-5-nitrophenyl)-2-methylbutanamide
CID 79797811
(3E)-N-(4-chlorophenyl)-2,2-dimethyl-3-[(4-nitrophenyl)hydrazinylidene]butanamide
CID 15681749
2-amino-N-(2-chloro-5-nitrophenyl)-2-methylpentanamide
CID 60846513
N,N'-bis(2-chloro-5-nitrophenyl)-2,2,3,3-tetrafluorobutanediamide
CID 3519654
N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide
CID 47064408
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide
CID 3582375
N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzamide
CID 4636309
2,2,2-trifluoro-N-(4-nitrophenyl)acetamide
CID 616367
N-(3-chloro-4-nitrophenyl)-2-methyl-2-(methylamino)propanamide
CID 82864476

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-nitrophenyl)-N-(3,4,5-trichlorophenyl)propanamide?
The IUPAC name of 2-hydroxy-2-(4-nitrophenyl)-N-(3,4,5-trichlorophenyl)propanamide (CID 19603134) is 2-hydroxy-2-(4-nitrophenyl)-N-(3,4,5-trichlorophenyl)propanamide.
What is the SMILES notation for 2-hydroxy-2-(4-nitrophenyl)-N-(3,4,5-trichlorophenyl)propanamide?
The canonical SMILES for 2-hydroxy-2-(4-nitrophenyl)-N-(3,4,5-trichlorophenyl)propanamide is CC(O)(C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-hydroxy-2-(4-nitrophenyl)-N-(3,4,5-trichlorophenyl)propanamide?
The InChIKey is ABNCIVVJUUQVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N2O4/c1-15(22,8-2-4-10(5-3-8)20(23)24)14(21)19-9-6-11(16)13(18)12(17)7-9/h2-7,22H,1H3,(H,19,21).
What are the key properties of 2-hydroxy-2-(4-nitrophenyl)-N-(3,4,5-trichlorophenyl)propanamide?
2-hydroxy-2-(4-nitrophenyl)-N-(3,4,5-trichlorophenyl)propanamide has a molecular weight of 389.62 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(4-nitrophenyl)-N-(3,4,5-trichlorophenyl)propanamide is sourced from PubChem (CID 19603134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).