N-(2-chloro-4-ethoxy-6-nitrophenyl)acetamide

C10H11ClN2O4 — CID 91674197

IUPACN-(2-chloro-4-ethoxy-6-nitrophenyl)acetamide
SMILESCCOc1cc(Cl)c(NC(C)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11ClN2O4/c1-3-17-7-4-8(11)10(12-6(2)14)9(5-7)13(15)16/h4-5H,3H2,1-2H3,(H,12,14)
InChIKeyXWSVJCMFDYEMME-UHFFFAOYSA-N
MW258.66 g/mol
LogP2.61
Rot. Bonds4

About N-(2-chloro-4-ethoxy-6-nitrophenyl)acetamide

N-(2-chloro-4-ethoxy-6-nitrophenyl)acetamide (PubChem CID 91674197) has the molecular formula C10H11ClN2O4 and a molecular weight of 258.66 g/mol. Its IUPAC name is N-(2-chloro-4-ethoxy-6-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-ethoxy-6-nitrophenyl)acetamide
PubChem CID91674197
Molecular FormulaC10H11ClN2O4
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC NameN-(2-chloro-4-ethoxy-6-nitrophenyl)acetamide
SMILESCCOc1cc(Cl)c(NC(C)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11ClN2O4/c1-3-17-7-4-8(11)10(12-6(2)14)9(5-7)13(15)16/h4-5H,3H2,1-2H3,(H,12,14)
InChIKeyXWSVJCMFDYEMME-UHFFFAOYSA-N
XLogP2.61
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-acetamido-3-chloro-5-nitrobenzoic acid
CID 154365405
N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide
CID 134828491
5-ethoxy-2-hydroxy-3-nitrobenzoic acid
CID 91673204
3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide
CID 4644339
N-(4-ethoxy-5-nitro-2-pyridinyl)acetamide
CID 23966737
2-acetyl-4-ethoxy-6-nitrobenzonitrile
CID 171031047
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
N-(3,4,6-trichloro-2-nitrophenyl)acetamide
CID 4582781
N-(2-bromo-3-chloro-4-methyl-6-nitrophenyl)acetamide
CID 75124042
N-(4-chloro-5-ethyl-2-nitrophenyl)acetamide
CID 119091094
N-(5-chloro-4-nitro-2-propoxyphenyl)acetamide
CID 2780656
N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-ethoxy-6-nitrophenyl)acetamide?
The IUPAC name of N-(2-chloro-4-ethoxy-6-nitrophenyl)acetamide (CID 91674197) is N-(2-chloro-4-ethoxy-6-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-chloro-4-ethoxy-6-nitrophenyl)acetamide?
The canonical SMILES for N-(2-chloro-4-ethoxy-6-nitrophenyl)acetamide is CCOc1cc(Cl)c(NC(C)=O)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2-chloro-4-ethoxy-6-nitrophenyl)acetamide?
The InChIKey is XWSVJCMFDYEMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4/c1-3-17-7-4-8(11)10(12-6(2)14)9(5-7)13(15)16/h4-5H,3H2,1-2H3,(H,12,14).
What are the key properties of N-(2-chloro-4-ethoxy-6-nitrophenyl)acetamide?
N-(2-chloro-4-ethoxy-6-nitrophenyl)acetamide has a molecular weight of 258.66 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-ethoxy-6-nitrophenyl)acetamide is sourced from PubChem (CID 91674197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).