2-(2-chloro-4-nitrophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide

C14H19ClN2O4 — CID 110002368

IUPAC2-(2-chloro-4-nitrophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
SMILESCCC(C)(CCO)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H19ClN2O4/c1-3-14(2,6-7-18)16-13(19)8-10-4-5-11(17(20)21)9-12(10)15/h4-5,9,18H,3,6-8H2,1-2H3,(H,16,19)
InChIKeyPOWKVAQSLMYLHT-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.46
Rot. Bonds7

About 2-(2-chloro-4-nitrophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide

2-(2-chloro-4-nitrophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide (PubChem CID 110002368) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
PubChem CID110002368
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Name2-(2-chloro-4-nitrophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
SMILESCCC(C)(CCO)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H19ClN2O4/c1-3-14(2,6-7-18)16-13(19)8-10-4-5-11(17(20)21)9-12(10)15/h4-5,9,18H,3,6-8H2,1-2H3,(H,16,19)
InChIKeyPOWKVAQSLMYLHT-UHFFFAOYSA-N
XLogP2.46
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.46
H-Bond Donors ≤ 52
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

2-[[2-(2-chloro-4-nitrophenyl)acetyl]amino]-2-methylpentanoic acid
CID 120517024
4-[[2-(2-chloro-4-nitrophenyl)acetyl]amino]-4-methylpentanoic acid
CID 119357589
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chloro-4-nitrophenyl)acetamide
CID 119607204
N-(2-amino-2-ethylbutyl)-2-(2-chloro-4-nitrophenyl)acetamide;hydrochloride
CID 119641734
2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-4-nitrobenzamide
CID 103945514
2-[[[2-(2-chloro-4-nitrophenyl)acetyl]amino]methyl]-2-ethylbutanoic acid
CID 120533367
2-[(2-chloro-4-nitrophenyl)methylamino]-2-ethylbutan-1-ol
CID 55082634
3-[(2-chloro-5-nitrophenyl)methylamino]-3-methylbutan-1-ol
CID 113243430
3-[(2-chloro-4-nitrophenyl)methylamino]-3-methylbutanamide
CID 104580443
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)-2-nitrobenzamide
CID 103945607
1-(2-chloro-4-nitrophenyl)-3-methylbutan-2-one
CID 63199228
3-[(2-chloro-4-nitrophenyl)methylamino]-2-methylpropane-1,2-diol
CID 66187647

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
The IUPAC name of 2-(2-chloro-4-nitrophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide (CID 110002368) is 2-(2-chloro-4-nitrophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-nitrophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
The canonical SMILES for 2-(2-chloro-4-nitrophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide is CCC(C)(CCO)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-(2-chloro-4-nitrophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
The InChIKey is POWKVAQSLMYLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-3-14(2,6-7-18)16-13(19)8-10-4-5-11(17(20)21)9-12(10)15/h4-5,9,18H,3,6-8H2,1-2H3,(H,16,19).
What are the key properties of 2-(2-chloro-4-nitrophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
2-(2-chloro-4-nitrophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide has a molecular weight of 314.77 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide is sourced from PubChem (CID 110002368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).