2-chloro-N-[4-[(2-chloroacetyl)amino]-2,5-diethoxyphenyl]acetamide

C14H18Cl2N2O4 — CID 796173

IUPAC2-chloro-N-[4-[(2-chloroacetyl)amino]-2,5-diethoxyphenyl]acetamide
SMILESCCOc1cc(NC(=O)CCl)c(OCC)cc1NC(=O)CCl
InChIInChI=1S/C14H18Cl2N2O4/c1-3-21-11-5-10(18-14(20)8-16)12(22-4-2)6-9(11)17-13(19)7-15/h5-6H,3-4,7-8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyGOUWVOOEDUYBIR-UHFFFAOYSA-N
MW349.21 g/mol
LogP2.84
Rot. Bonds8

About 2-chloro-N-[4-[(2-chloroacetyl)amino]-2,5-diethoxyphenyl]acetamide

2-chloro-N-[4-[(2-chloroacetyl)amino]-2,5-diethoxyphenyl]acetamide (PubChem CID 796173) has the molecular formula C14H18Cl2N2O4 and a molecular weight of 349.21 g/mol. Its IUPAC name is 2-chloro-N-[4-[(2-chloroacetyl)amino]-2,5-diethoxyphenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-[(2-chloroacetyl)amino]-2,5-diethoxyphenyl]acetamide
PubChem CID796173
Molecular FormulaC14H18Cl2N2O4
Molecular Weight349.21 g/mol
Exact Mass348.06
IUPAC Name2-chloro-N-[4-[(2-chloroacetyl)amino]-2,5-diethoxyphenyl]acetamide
SMILESCCOc1cc(NC(=O)CCl)c(OCC)cc1NC(=O)CCl
InChIInChI=1S/C14H18Cl2N2O4/c1-3-21-11-5-10(18-14(20)8-16)12(22-4-2)6-9(11)17-13(19)7-15/h5-6H,3-4,7-8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyGOUWVOOEDUYBIR-UHFFFAOYSA-N
XLogP2.84
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[(2-chloroacetyl)amino]-2,5-diethoxyphenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-[(2-chloroacetyl)amino]-2,5-diethoxyphenyl]acetamide (CID 796173) is 2-chloro-N-[4-[(2-chloroacetyl)amino]-2,5-diethoxyphenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-[(2-chloroacetyl)amino]-2,5-diethoxyphenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-[(2-chloroacetyl)amino]-2,5-diethoxyphenyl]acetamide is CCOc1cc(NC(=O)CCl)c(OCC)cc1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[4-[(2-chloroacetyl)amino]-2,5-diethoxyphenyl]acetamide?
The InChIKey is GOUWVOOEDUYBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O4/c1-3-21-11-5-10(18-14(20)8-16)12(22-4-2)6-9(11)17-13(19)7-15/h5-6H,3-4,7-8H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-chloro-N-[4-[(2-chloroacetyl)amino]-2,5-diethoxyphenyl]acetamide?
2-chloro-N-[4-[(2-chloroacetyl)amino]-2,5-diethoxyphenyl]acetamide has a molecular weight of 349.21 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[(2-chloroacetyl)amino]-2,5-diethoxyphenyl]acetamide is sourced from PubChem (CID 796173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).