2-(2-chloro-4-nitrophenoxy)-N-[(2R)-5-methylhexan-2-yl]acetamide

C15H21ClN2O4 — CID 8587936

IUPAC2-(2-chloro-4-nitrophenoxy)-N-[(2R)-5-methylhexan-2-yl]acetamide
SMILESCC(C)CC[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C15H21ClN2O4/c1-10(2)4-5-11(3)17-15(19)9-22-14-7-6-12(18(20)21)8-13(14)16/h6-8,10-11H,4-5,9H2,1-3H3,(H,17,19)/t11-/m1/s1
InChIKeyIHEALLPGBXVBHO-LLVKDONJSA-N
MW328.80 g/mol
LogP3.57
Rot. Bonds8

About 2-(2-chloro-4-nitrophenoxy)-N-[(2R)-5-methylhexan-2-yl]acetamide

2-(2-chloro-4-nitrophenoxy)-N-[(2R)-5-methylhexan-2-yl]acetamide (PubChem CID 8587936) has the molecular formula C15H21ClN2O4 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-N-[(2R)-5-methylhexan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-N-[(2R)-5-methylhexan-2-yl]acetamide
PubChem CID8587936
Molecular FormulaC15H21ClN2O4
Molecular Weight328.80 g/mol
Exact Mass328.12
IUPAC Name2-(2-chloro-4-nitrophenoxy)-N-[(2R)-5-methylhexan-2-yl]acetamide
SMILESCC(C)CC[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C15H21ClN2O4/c1-10(2)4-5-11(3)17-15(19)9-22-14-7-6-12(18(20)21)8-13(14)16/h6-8,10-11H,4-5,9H2,1-3H3,(H,17,19)/t11-/m1/s1
InChIKeyIHEALLPGBXVBHO-LLVKDONJSA-N
XLogP3.57
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.57
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

2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-cyclopropylethyl]acetamide
CID 8587870
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 7866101
2-(2-chloro-4-nitrophenoxy)-N-(propan-2-ylcarbamoyl)acetamide
CID 4216081
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 7866109
(2R)-2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide
CID 8587785
2-(2-methoxy-5-nitrophenoxy)-N-[(2S)-6-methylheptan-2-yl]acetamide
CID 8566643
2-(2-chloro-4-nitrophenoxy)-N-(2-methylpropylcarbamoyl)acetamide
CID 7509223
2-(2-chloro-4-nitrophenoxy)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
CID 7509267
2-(2-chloro-4-nitrophenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 18192310
2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide
CID 18074297
2-(2-chloro-5-nitrophenoxy)-N-propan-2-ylacetamide
CID 79483173
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 8587779

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-[(2R)-5-methylhexan-2-yl]acetamide?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-[(2R)-5-methylhexan-2-yl]acetamide (CID 8587936) is 2-(2-chloro-4-nitrophenoxy)-N-[(2R)-5-methylhexan-2-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-N-[(2R)-5-methylhexan-2-yl]acetamide?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-N-[(2R)-5-methylhexan-2-yl]acetamide is CC(C)CC[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-N-[(2R)-5-methylhexan-2-yl]acetamide?
The InChIKey is IHEALLPGBXVBHO-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21ClN2O4/c1-10(2)4-5-11(3)17-15(19)9-22-14-7-6-12(18(20)21)8-13(14)16/h6-8,10-11H,4-5,9H2,1-3H3,(H,17,19)/t11-/m1/s1.
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-N-[(2R)-5-methylhexan-2-yl]acetamide?
2-(2-chloro-4-nitrophenoxy)-N-[(2R)-5-methylhexan-2-yl]acetamide has a molecular weight of 328.80 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenoxy)-N-[(2R)-5-methylhexan-2-yl]acetamide is sourced from PubChem (CID 8587936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).