2-(2-chloro-5-nitrophenoxy)-N-propan-2-ylacetamide

C11H13ClN2O4 — CID 79483173

IUPAC2-(2-chloro-5-nitrophenoxy)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C11H13ClN2O4/c1-7(2)13-11(15)6-18-10-5-8(14(16)17)3-4-9(10)12/h3-5,7H,6H2,1-2H3,(H,13,15)
InChIKeySXXNNDIQQOWESG-UHFFFAOYSA-N
MW272.69 g/mol
LogP2.15
Rot. Bonds5

About 2-(2-chloro-5-nitrophenoxy)-N-propan-2-ylacetamide

2-(2-chloro-5-nitrophenoxy)-N-propan-2-ylacetamide (PubChem CID 79483173) has the molecular formula C11H13ClN2O4 and a molecular weight of 272.69 g/mol. Its IUPAC name is 2-(2-chloro-5-nitrophenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-chloro-5-nitrophenoxy)-N-propan-2-ylacetamide
PubChem CID79483173
Molecular FormulaC11H13ClN2O4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC Name2-(2-chloro-5-nitrophenoxy)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C11H13ClN2O4/c1-7(2)13-11(15)6-18-10-5-8(14(16)17)3-4-9(10)12/h3-5,7H,6H2,1-2H3,(H,13,15)
InChIKeySXXNNDIQQOWESG-UHFFFAOYSA-N
XLogP2.15
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 52.15
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-5-nitrophenoxy)-N-pentan-3-ylacetamide
CID 79496401
2-(2-chloro-4-nitrophenoxy)-N-(propan-2-ylcarbamoyl)acetamide
CID 4216081
2-(2-chloro-4-nitrophenoxy)-N-[(2R)-5-methylhexan-2-yl]acetamide
CID 8587936
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-cyclopropylethyl]acetamide
CID 8587870
1-(2-chloro-5-nitrophenoxy)pentan-2-one
CID 63990783
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 7866101
methyl 3-(2-chloro-5-nitrophenoxy)-2-(propan-2-ylamino)propanoate
CID 63991592
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
1-chloro-2-ethoxy-4-nitrobenzene
CID 69438761
2-[(2-chloro-5-nitrophenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103067273
3-(2-chloro-5-nitrophenoxy)-2-(ethylamino)propanoic acid
CID 63992973

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-nitrophenoxy)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-chloro-5-nitrophenoxy)-N-propan-2-ylacetamide (CID 79483173) is 2-(2-chloro-5-nitrophenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-chloro-5-nitrophenoxy)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-chloro-5-nitrophenoxy)-N-propan-2-ylacetamide is CC(C)NC(=O)COc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-nitrophenoxy)-N-propan-2-ylacetamide?
The InChIKey is SXXNNDIQQOWESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4/c1-7(2)13-11(15)6-18-10-5-8(14(16)17)3-4-9(10)12/h3-5,7H,6H2,1-2H3,(H,13,15).
What are the key properties of 2-(2-chloro-5-nitrophenoxy)-N-propan-2-ylacetamide?
2-(2-chloro-5-nitrophenoxy)-N-propan-2-ylacetamide has a molecular weight of 272.69 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-nitrophenoxy)-N-propan-2-ylacetamide is sourced from PubChem (CID 79483173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).