2-(2-chloro-4-nitrophenoxy)-N-(3-propan-2-yloxypropyl)acetamide

C14H19ClN2O5 — CID 8587948

IUPAC2-(2-chloro-4-nitrophenoxy)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)COc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H19ClN2O5/c1-10(2)21-7-3-6-16-14(18)9-22-13-5-4-11(17(19)20)8-12(13)15/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,18)
InChIKeyUVRFFJVGCNCHPQ-UHFFFAOYSA-N
MW330.77 g/mol
LogP2.56
Rot. Bonds9

About 2-(2-chloro-4-nitrophenoxy)-N-(3-propan-2-yloxypropyl)acetamide

2-(2-chloro-4-nitrophenoxy)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 8587948) has the molecular formula C14H19ClN2O5 and a molecular weight of 330.77 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID8587948
Molecular FormulaC14H19ClN2O5
Molecular Weight330.77 g/mol
Exact Mass330.10
IUPAC Name2-(2-chloro-4-nitrophenoxy)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)COc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H19ClN2O5/c1-10(2)21-7-3-6-16-14(18)9-22-13-5-4-11(17(19)20)8-12(13)15/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,18)
InChIKeyUVRFFJVGCNCHPQ-UHFFFAOYSA-N
XLogP2.56
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

2-(2-chloro-4-nitrophenoxy)-N-hexylacetamide
CID 8587910
6-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]hexanoic acid
CID 2311184
2-(2-chloro-4-nitrophenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 8587894
2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide
CID 18074297
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-cyclopropylethyl]acetamide
CID 8587870
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 126394799
(2R)-2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide
CID 8587785
2-(2-chloro-4-nitrophenoxy)-N-(2-methylpropylcarbamoyl)acetamide
CID 7509223
2-(2-chloro-4-nitrophenoxy)-N-[(2R)-5-methylhexan-2-yl]acetamide
CID 8587936
2-(2-chloro-4-nitrophenoxy)-N-(propan-2-ylcarbamoyl)acetamide
CID 4216081
2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 7865843
2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide
CID 3314376

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-(3-propan-2-yloxypropyl)acetamide (CID 8587948) is 2-(2-chloro-4-nitrophenoxy)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)COc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is UVRFFJVGCNCHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O5/c1-10(2)21-7-3-6-16-14(18)9-22-13-5-4-11(17(19)20)8-12(13)15/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-N-(3-propan-2-yloxypropyl)acetamide?
2-(2-chloro-4-nitrophenoxy)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 330.77 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenoxy)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 8587948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).