N-(2-chloro-4-nitrophenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide

C16H12ClN3O5 — CID 16959885

IUPACN-(2-chloro-4-nitrophenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C16H12ClN3O5/c1-24-15-6-10(8-18)2-5-14(15)25-9-16(21)19-13-4-3-11(20(22)23)7-12(13)17/h2-7H,9H2,1H3,(H,19,21)
InChIKeyLRLUTGVDEHBYSP-UHFFFAOYSA-N
MW361.74 g/mol
LogP3.15
Rot. Bonds6

About N-(2-chloro-4-nitrophenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide

N-(2-chloro-4-nitrophenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide (PubChem CID 16959885) has the molecular formula C16H12ClN3O5 and a molecular weight of 361.74 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide
PubChem CID16959885
Molecular FormulaC16H12ClN3O5
Molecular Weight361.74 g/mol
Exact Mass361.05
IUPAC NameN-(2-chloro-4-nitrophenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C16H12ClN3O5/c1-24-15-6-10(8-18)2-5-14(15)25-9-16(21)19-13-4-3-11(20(22)23)7-12(13)17/h2-7H,9H2,1H3,(H,19,21)
InChIKeyLRLUTGVDEHBYSP-UHFFFAOYSA-N
XLogP3.15
TPSA114.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.74
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-(4-cyano-2-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 7252101
N-(2-chloro-4-methylphenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 7252194
N-(2-chloro-5-nitrophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 17359240
2-(2,4-dichlorophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2903084
2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 2513285
N-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide
CID 2832007
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 16511735
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 7252185
4-(2-chloro-4-nitrophenoxy)-3-methoxybenzonitrile
CID 9195338
N-(5-acetamido-2-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 8587959
2-(4-cyano-2-methoxyphenoxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 2976145
2-(4-cyano-2-methoxyphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 4845177

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide (CID 16959885) is N-(2-chloro-4-nitrophenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide is COc1cc(C#N)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide?
The InChIKey is LRLUTGVDEHBYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O5/c1-24-15-6-10(8-18)2-5-14(15)25-9-16(21)19-13-4-3-11(20(22)23)7-12(13)17/h2-7H,9H2,1H3,(H,19,21).
What are the key properties of N-(2-chloro-4-nitrophenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide?
N-(2-chloro-4-nitrophenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide has a molecular weight of 361.74 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide is sourced from PubChem (CID 16959885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).