2-(4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)-2-methylpropanamide

C17H17ClN2O5 — CID 2934377

IUPAC2-(4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H17ClN2O5/c1-17(2,25-12-6-4-11(18)5-7-12)16(21)19-14-9-8-13(24-3)10-15(14)20(22)23/h4-10H,1-3H3,(H,19,21)
InChIKeyNYWGRVWHDKDJPS-UHFFFAOYSA-N
MW364.79 g/mol
LogP4.05
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)-2-methylpropanamide

2-(4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)-2-methylpropanamide (PubChem CID 2934377) has the molecular formula C17H17ClN2O5 and a molecular weight of 364.79 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)-2-methylpropanamide
PubChem CID2934377
Molecular FormulaC17H17ClN2O5
Molecular Weight364.79 g/mol
Exact Mass364.08
IUPAC Name2-(4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H17ClN2O5/c1-17(2,25-12-6-4-11(18)5-7-12)16(21)19-14-9-8-13(24-3)10-15(14)20(22)23/h4-10H,1-3H3,(H,19,21)
InChIKeyNYWGRVWHDKDJPS-UHFFFAOYSA-N
XLogP4.05
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 54.05
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-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide
CID 3140520
N-(4-chloro-2-nitrophenyl)-2-methoxy-2-methylpropanamide
CID 103028854
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)-2-methylpropanamide
CID 3657024
2-amino-N-(4-methoxy-2-nitrophenyl)-2-methylpentanamide
CID 60848957
2-(4-chlorophenoxy)-2-methyl-N-(2-methyl-5-nitrophenyl)propanamide
CID 888330
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 4-chlorobenzoate
CID 7484411
2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 4102535
1-tert-butyl-3-(4-methoxy-2-nitrophenyl)thiourea
CID 2797798
(2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide
CID 103928804
2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 3101364
4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide
CID 3101370
[1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 55416642

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)-2-methylpropanamide (CID 2934377) is 2-(4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)-2-methylpropanamide is COc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)-2-methylpropanamide?
The InChIKey is NYWGRVWHDKDJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O5/c1-17(2,25-12-6-4-11(18)5-7-12)16(21)19-14-9-8-13(24-3)10-15(14)20(22)23/h4-10H,1-3H3,(H,19,21).
What are the key properties of 2-(4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)-2-methylpropanamide?
2-(4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)-2-methylpropanamide has a molecular weight of 364.79 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)-2-methylpropanamide is sourced from PubChem (CID 2934377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).