N-[(2-chlorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)acetamide

C16H15ClN2O5 — CID 7473645

IUPACN-[(2-chlorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NCc2ccccc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C16H15ClN2O5/c1-23-12-6-7-15(14(8-12)19(21)22)24-10-16(20)18-9-11-4-2-3-5-13(11)17/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyUZOLKBKSJCGFCT-UHFFFAOYSA-N
MW350.76 g/mol
LogP2.95
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)acetamide

N-[(2-chlorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)acetamide (PubChem CID 7473645) has the molecular formula C16H15ClN2O5 and a molecular weight of 350.76 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
PubChem CID7473645
Molecular FormulaC16H15ClN2O5
Molecular Weight350.76 g/mol
Exact Mass350.07
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NCc2ccccc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C16H15ClN2O5/c1-23-12-6-7-15(14(8-12)19(21)22)24-10-16(20)18-9-11-4-2-3-5-13(11)17/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyUZOLKBKSJCGFCT-UHFFFAOYSA-N
XLogP2.95
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 52.95
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-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500531
N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965140
N-(furan-2-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473626
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 2563855
N-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 78765457
N-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473683
N-[(2-chloro-4-methoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 110783322
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500657
N-(2-tert-butylphenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965088
2-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide
CID 18076412
N-[(2-chlorophenyl)methyl]-2-(2,3-dichlorophenoxy)acetamide
CID 2602916
N-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473647

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)acetamide (CID 7473645) is N-[(2-chlorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)acetamide is COc1ccc(OCC(=O)NCc2ccccc2Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)acetamide?
The InChIKey is UZOLKBKSJCGFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O5/c1-23-12-6-7-15(14(8-12)19(21)22)24-10-16(20)18-9-11-4-2-3-5-13(11)17/h2-8H,9-10H2,1H3,(H,18,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)acetamide?
N-[(2-chlorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)acetamide has a molecular weight of 350.76 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)acetamide is sourced from PubChem (CID 7473645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).