2-(2-chloro-4-nitrophenoxy)-N-(2-methylpropylcarbamoyl)acetamide

C13H16ClN3O5 — CID 7509223

IUPAC2-(2-chloro-4-nitrophenoxy)-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)COc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H16ClN3O5/c1-8(2)6-15-13(19)16-12(18)7-22-11-4-3-9(17(20)21)5-10(11)14/h3-5,8H,6-7H2,1-2H3,(H2,15,16,18,19)
InChIKeySFRRYGRHNLYBGR-UHFFFAOYSA-N
MW329.74 g/mol
LogP2.11
Rot. Bonds6

About 2-(2-chloro-4-nitrophenoxy)-N-(2-methylpropylcarbamoyl)acetamide

2-(2-chloro-4-nitrophenoxy)-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 7509223) has the molecular formula C13H16ClN3O5 and a molecular weight of 329.74 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID7509223
Molecular FormulaC13H16ClN3O5
Molecular Weight329.74 g/mol
Exact Mass329.08
IUPAC Name2-(2-chloro-4-nitrophenoxy)-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)COc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H16ClN3O5/c1-8(2)6-15-13(19)16-12(18)7-22-11-4-3-9(17(20)21)5-10(11)14/h3-5,8H,6-7H2,1-2H3,(H2,15,16,18,19)
InChIKeySFRRYGRHNLYBGR-UHFFFAOYSA-N
XLogP2.11
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 52.11
H-Bond Donors ≤ 52
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'}

Analyze 2-(2-chloro-4-nitrophenoxy)-N-(2-methylpropylcarbamoyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-4-nitrophenoxy)-N-(propan-2-ylcarbamoyl)acetamide
CID 4216081
2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 40708016
2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide
CID 18074297
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-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 7866109
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-cyclopropylethyl]acetamide
CID 8587870
2-(2-chloro-4-nitrophenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 8587948
(2R)-2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide
CID 8587785
2-(2-chloro-4-nitrophenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 18192310
2-(2-chloro-4-nitrophenoxy)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
CID 7509267
2-(2-chloro-4-nitrophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7866088

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-(2-methylpropylcarbamoyl)acetamide (CID 7509223) is 2-(2-chloro-4-nitrophenoxy)-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-N-(2-methylpropylcarbamoyl)acetamide is CC(C)CNC(=O)NC(=O)COc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is SFRRYGRHNLYBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O5/c1-8(2)6-15-13(19)16-12(18)7-22-11-4-3-9(17(20)21)5-10(11)14/h3-5,8H,6-7H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-N-(2-methylpropylcarbamoyl)acetamide?
2-(2-chloro-4-nitrophenoxy)-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 329.74 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenoxy)-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 7509223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).