2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-cyclopropylethyl]acetamide

C13H15ClN2O4 — CID 8587870

IUPAC2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-cyclopropylethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1Cl)C1CC1
InChIInChI=1S/C13H15ClN2O4/c1-8(9-2-3-9)15-13(17)7-20-12-5-4-10(16(18)19)6-11(12)14/h4-6,8-9H,2-3,7H2,1H3,(H,15,17)/t8-/m0/s1
InChIKeyHJGNCMJXJYAAJD-QMMMGPOBSA-N
MW298.73 g/mol
LogP2.54
Rot. Bonds6

About 2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-cyclopropylethyl]acetamide

2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-cyclopropylethyl]acetamide (PubChem CID 8587870) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-cyclopropylethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-cyclopropylethyl]acetamide
PubChem CID8587870
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC Name2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-cyclopropylethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1Cl)C1CC1
InChIInChI=1S/C13H15ClN2O4/c1-8(9-2-3-9)15-13(17)7-20-12-5-4-10(16(18)19)6-11(12)14/h4-6,8-9H,2-3,7H2,1H3,(H,15,17)/t8-/m0/s1
InChIKeyHJGNCMJXJYAAJD-QMMMGPOBSA-N
XLogP2.54
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 52.54
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

N-[(1S)-1-cyclopropylethyl]-2-(2-formyl-4-nitrophenoxy)acetamide
CID 8808925
2-(2-chloro-4-nitrophenoxy)-N-[(2R)-5-methylhexan-2-yl]acetamide
CID 8587936
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-cycloheptylacetamide
CID 4314611
3-chloro-4-[2-(1-cyclopropylethylamino)-2-oxoethoxy]benzoic acid
CID 45303918
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-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

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-cyclopropylethyl]acetamide?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-cyclopropylethyl]acetamide (CID 8587870) is 2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-cyclopropylethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-cyclopropylethyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-cyclopropylethyl]acetamide is C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1Cl)C1CC1.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-cyclopropylethyl]acetamide?
The InChIKey is HJGNCMJXJYAAJD-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c1-8(9-2-3-9)15-13(17)7-20-12-5-4-10(16(18)19)6-11(12)14/h4-6,8-9H,2-3,7H2,1H3,(H,15,17)/t8-/m0/s1.
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-cyclopropylethyl]acetamide?
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-cyclopropylethyl]acetamide has a molecular weight of 298.73 g/mol, XLogP of 2.54, 6 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-[(1S)-1-cyclopropylethyl]acetamide is sourced from PubChem (CID 8587870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).