2-(4-chloro-2-nitrophenoxy)-N-(1-cyclopropylpiperidin-4-yl)acetamide

C16H20ClN3O4 — CID 38931003

IUPAC2-(4-chloro-2-nitrophenoxy)-N-(1-cyclopropylpiperidin-4-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1[N+](=O)[O-])NC1CCN(C2CC2)CC1
InChIInChI=1S/C16H20ClN3O4/c17-11-1-4-15(14(9-11)20(22)23)24-10-16(21)18-12-5-7-19(8-6-12)13-2-3-13/h1,4,9,12-13H,2-3,5-8,10H2,(H,18,21)
InChIKeyCVOYHSZEAYFXST-UHFFFAOYSA-N
MW353.81 g/mol
LogP2.37
Rot. Bonds6

About 2-(4-chloro-2-nitrophenoxy)-N-(1-cyclopropylpiperidin-4-yl)acetamide

2-(4-chloro-2-nitrophenoxy)-N-(1-cyclopropylpiperidin-4-yl)acetamide (PubChem CID 38931003) has the molecular formula C16H20ClN3O4 and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-(4-chloro-2-nitrophenoxy)-N-(1-cyclopropylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-nitrophenoxy)-N-(1-cyclopropylpiperidin-4-yl)acetamide
PubChem CID38931003
Molecular FormulaC16H20ClN3O4
Molecular Weight353.81 g/mol
Exact Mass353.11
IUPAC Name2-(4-chloro-2-nitrophenoxy)-N-(1-cyclopropylpiperidin-4-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1[N+](=O)[O-])NC1CCN(C2CC2)CC1
InChIInChI=1S/C16H20ClN3O4/c17-11-1-4-15(14(9-11)20(22)23)24-10-16(21)18-12-5-7-19(8-6-12)13-2-3-13/h1,4,9,12-13H,2-3,5-8,10H2,(H,18,21)
InChIKeyCVOYHSZEAYFXST-UHFFFAOYSA-N
XLogP2.37
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(3R)-1-cyclopropylpyrrolidin-3-yl]-2-(2,5-dichlorophenoxy)acetamide
CID 52504513
2-(4-chloro-2-nitrophenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11920384
N-(1-acetylpiperidin-4-yl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide
CID 75435434
2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide
CID 7991150
2-(4-chloro-2-nitrophenoxy)acetic acid
CID 715650
[2-(cyclopropylamino)-2-oxoethyl] 4-chloro-2-nitrobenzoate
CID 2097880
3-(4-chloro-2-nitrophenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119426675
N-(4-aminocyclohexyl)-2-(2-nitrophenoxy)acetamide
CID 119476242
2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide
CID 4314611
2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide
CID 108553385
2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 55566141
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(4-chloro-2-nitrophenoxy)ethanone
CID 78622749

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-nitrophenoxy)-N-(1-cyclopropylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(4-chloro-2-nitrophenoxy)-N-(1-cyclopropylpiperidin-4-yl)acetamide (CID 38931003) is 2-(4-chloro-2-nitrophenoxy)-N-(1-cyclopropylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-nitrophenoxy)-N-(1-cyclopropylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(4-chloro-2-nitrophenoxy)-N-(1-cyclopropylpiperidin-4-yl)acetamide is O=C(COc1ccc(Cl)cc1[N+](=O)[O-])NC1CCN(C2CC2)CC1.
What is the InChIKey of 2-(4-chloro-2-nitrophenoxy)-N-(1-cyclopropylpiperidin-4-yl)acetamide?
The InChIKey is CVOYHSZEAYFXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O4/c17-11-1-4-15(14(9-11)20(22)23)24-10-16(21)18-12-5-7-19(8-6-12)13-2-3-13/h1,4,9,12-13H,2-3,5-8,10H2,(H,18,21).
What are the key properties of 2-(4-chloro-2-nitrophenoxy)-N-(1-cyclopropylpiperidin-4-yl)acetamide?
2-(4-chloro-2-nitrophenoxy)-N-(1-cyclopropylpiperidin-4-yl)acetamide has a molecular weight of 353.81 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-nitrophenoxy)-N-(1-cyclopropylpiperidin-4-yl)acetamide is sourced from PubChem (CID 38931003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).