2-(3-chloro-4-nitrophenoxy)-N-(cyclopropylmethyl)acetamide

C12H13ClN2O4 — CID 47443106

IUPAC2-(3-chloro-4-nitrophenoxy)-N-(cyclopropylmethyl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])c(Cl)c1)NCC1CC1
InChIInChI=1S/C12H13ClN2O4/c13-10-5-9(3-4-11(10)15(17)18)19-7-12(16)14-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,14,16)
InChIKeyJNTUGWFOEWHECA-UHFFFAOYSA-N
MW284.70 g/mol
LogP2.15
Rot. Bonds6

About 2-(3-chloro-4-nitrophenoxy)-N-(cyclopropylmethyl)acetamide

2-(3-chloro-4-nitrophenoxy)-N-(cyclopropylmethyl)acetamide (PubChem CID 47443106) has the molecular formula C12H13ClN2O4 and a molecular weight of 284.70 g/mol. Its IUPAC name is 2-(3-chloro-4-nitrophenoxy)-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-nitrophenoxy)-N-(cyclopropylmethyl)acetamide
PubChem CID47443106
Molecular FormulaC12H13ClN2O4
Molecular Weight284.70 g/mol
Exact Mass284.06
IUPAC Name2-(3-chloro-4-nitrophenoxy)-N-(cyclopropylmethyl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])c(Cl)c1)NCC1CC1
InChIInChI=1S/C12H13ClN2O4/c13-10-5-9(3-4-11(10)15(17)18)19-7-12(16)14-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,14,16)
InChIKeyJNTUGWFOEWHECA-UHFFFAOYSA-N
XLogP2.15
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
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-(3-chloro-4-nitrophenoxy)-N-cyclohexylacetamide
CID 78977054
2-(3-chloro-4-nitrophenoxy)-N-(oxan-4-yl)acetamide
CID 78924749
2-(3-chloro-4-nitrophenoxy)-1-cyclopropylethanone
CID 63904601
2-(3-chloro-4-nitrophenoxy)-1-cyclohexylethanone
CID 115595147
2-[5-(aminomethyl)-2-nitrophenoxy]-N-(cyclopropylmethyl)acetamide
CID 62116209
2-chloro-4-(2-methylprop-2-enoxy)-1-nitrobenzene
CID 78977095
2-(3-chloro-4-nitrophenoxy)-1-phenylethanone
CID 47443115
N-[(3-aminocyclopentyl)methyl]-2-(4-chloro-3-fluorophenoxy)acetamide
CID 154693316
4-(3-chloro-4-nitrophenoxy)-3-methylbut-2-enoic acid
CID 76974995
1-(3-chloro-4-nitrophenoxy)-3-(cyclopropylamino)propan-2-ol
CID 62112261
2-(3-fluoro-4-nitrophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120946560
4-(3-chloro-4-nitrophenoxy)butan-2-one
CID 62111779

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-nitrophenoxy)-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-(3-chloro-4-nitrophenoxy)-N-(cyclopropylmethyl)acetamide (CID 47443106) is 2-(3-chloro-4-nitrophenoxy)-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-nitrophenoxy)-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-nitrophenoxy)-N-(cyclopropylmethyl)acetamide is O=C(COc1ccc([N+](=O)[O-])c(Cl)c1)NCC1CC1.
What is the InChIKey of 2-(3-chloro-4-nitrophenoxy)-N-(cyclopropylmethyl)acetamide?
The InChIKey is JNTUGWFOEWHECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O4/c13-10-5-9(3-4-11(10)15(17)18)19-7-12(16)14-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,14,16).
What are the key properties of 2-(3-chloro-4-nitrophenoxy)-N-(cyclopropylmethyl)acetamide?
2-(3-chloro-4-nitrophenoxy)-N-(cyclopropylmethyl)acetamide has a molecular weight of 284.70 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-nitrophenoxy)-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 47443106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).