2-(4-chloro-2-nitrophenoxy)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide

C22H19ClN2O5 — CID 2960157

IUPAC2-(4-chloro-2-nitrophenoxy)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
SMILESCOc1ccc(C(NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2)cc1
InChIInChI=1S/C22H19ClN2O5/c1-29-18-10-7-16(8-11-18)22(15-5-3-2-4-6-15)24-21(26)14-30-20-12-9-17(23)13-19(20)25(27)28/h2-13,22H,14H2,1H3,(H,24,26)
InChIKeySSKPVHDAFRKUQR-UHFFFAOYSA-N
MW426.86 g/mol
LogP4.54
Rot. Bonds8

About 2-(4-chloro-2-nitrophenoxy)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide

2-(4-chloro-2-nitrophenoxy)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide (PubChem CID 2960157) has the molecular formula C22H19ClN2O5 and a molecular weight of 426.86 g/mol. Its IUPAC name is 2-(4-chloro-2-nitrophenoxy)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-nitrophenoxy)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
PubChem CID2960157
Molecular FormulaC22H19ClN2O5
Molecular Weight426.86 g/mol
Exact Mass426.10
IUPAC Name2-(4-chloro-2-nitrophenoxy)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
SMILESCOc1ccc(C(NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2)cc1
InChIInChI=1S/C22H19ClN2O5/c1-29-18-10-7-16(8-11-18)22(15-5-3-2-4-6-15)24-21(26)14-30-20-12-9-17(23)13-19(20)25(27)28/h2-13,22H,14H2,1H3,(H,24,26)
InChIKeySSKPVHDAFRKUQR-UHFFFAOYSA-N
XLogP4.54
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.86
LogP ≤ 54.54
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-nitrophenoxy)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-(4-chloro-2-nitrophenoxy)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide (CID 2960157) is 2-(4-chloro-2-nitrophenoxy)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-nitrophenoxy)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-nitrophenoxy)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide is COc1ccc(C(NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2)cc1.
What is the InChIKey of 2-(4-chloro-2-nitrophenoxy)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide?
The InChIKey is SSKPVHDAFRKUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O5/c1-29-18-10-7-16(8-11-18)22(15-5-3-2-4-6-15)24-21(26)14-30-20-12-9-17(23)13-19(20)25(27)28/h2-13,22H,14H2,1H3,(H,24,26).
What are the key properties of 2-(4-chloro-2-nitrophenoxy)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide?
2-(4-chloro-2-nitrophenoxy)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide has a molecular weight of 426.86 g/mol, XLogP of 4.54, 8 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-[(4-methoxyphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 2960157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).