N-(2-chloro-5-nitrophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide

C16H15ClN2O5 — CID 17359240

IUPACN-(2-chloro-5-nitrophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C16H15ClN2O5/c1-10-3-6-14(15(7-10)23-2)24-9-16(20)18-13-8-11(19(21)22)4-5-12(13)17/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyVOBSIHCTLSUMBA-UHFFFAOYSA-N
MW350.76 g/mol
LogP3.58
Rot. Bonds6

About N-(2-chloro-5-nitrophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide

N-(2-chloro-5-nitrophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide (PubChem CID 17359240) has the molecular formula C16H15ClN2O5 and a molecular weight of 350.76 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
PubChem CID17359240
Molecular FormulaC16H15ClN2O5
Molecular Weight350.76 g/mol
Exact Mass350.07
IUPAC NameN-(2-chloro-5-nitrophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C16H15ClN2O5/c1-10-3-6-14(15(7-10)23-2)24-9-16(20)18-13-8-11(19(21)22)4-5-12(13)17/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyVOBSIHCTLSUMBA-UHFFFAOYSA-N
XLogP3.58
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 53.58
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-(2,5-dichlorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35987064
2-(2,4-dichlorophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2903084
2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 2513285
2-(2-chloro-4-phenylphenoxy)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 7653192
N-(2-chloro-4-nitrophenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 16959885
N-(5-acetamido-2-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 8587959
[2-(2-chloro-5-nitroanilino)-2-oxoethyl] (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoate
CID 27043311
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406721
2-(2-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9099396
2-(4-cyano-2-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 7252101
[2-(2-chloro-5-nitroanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 35987746
2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-5-nitrophenyl)acetamide
CID 2523110

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide (CID 17359240) is N-(2-chloro-5-nitrophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide is COc1cc(C)ccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide?
The InChIKey is VOBSIHCTLSUMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O5/c1-10-3-6-14(15(7-10)23-2)24-9-16(20)18-13-8-11(19(21)22)4-5-12(13)17/h3-8H,9H2,1-2H3,(H,18,20).
What are the key properties of N-(2-chloro-5-nitrophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide?
N-(2-chloro-5-nitrophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide has a molecular weight of 350.76 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide is sourced from PubChem (CID 17359240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).