N-(4-chloro-5-ethyl-2-nitrophenyl)acetamide

C10H11ClN2O3 — CID 119091094

IUPACN-(4-chloro-5-ethyl-2-nitrophenyl)acetamide
SMILESCCc1cc(NC(C)=O)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H11ClN2O3/c1-3-7-4-9(12-6(2)14)10(13(15)16)5-8(7)11/h4-5H,3H2,1-2H3,(H,12,14)
InChIKeyWYSAEBGNPSYVHX-UHFFFAOYSA-N
MW242.66 g/mol
LogP2.77
Rot. Bonds3

About N-(4-chloro-5-ethyl-2-nitrophenyl)acetamide

N-(4-chloro-5-ethyl-2-nitrophenyl)acetamide (PubChem CID 119091094) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is N-(4-chloro-5-ethyl-2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-5-ethyl-2-nitrophenyl)acetamide
PubChem CID119091094
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC NameN-(4-chloro-5-ethyl-2-nitrophenyl)acetamide
SMILESCCc1cc(NC(C)=O)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H11ClN2O3/c1-3-7-4-9(12-6(2)14)10(13(15)16)5-8(7)11/h4-5H,3H2,1-2H3,(H,12,14)
InChIKeyWYSAEBGNPSYVHX-UHFFFAOYSA-N
XLogP2.77
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chloro-5-(fluoromethyl)-2-nitrophenyl]acetamide
CID 22411317
N-(2-ethyl-6-nitro-1,3-dihydroisoindol-5-yl)acetamide
CID 25139889
N-(2-chloro-4-fluoro-5-nitrophenyl)acetamide
CID 18365929
N-(5-chloro-4-nitro-2-propoxyphenyl)acetamide
CID 2780656
N-[4-chloro-2-nitro-5-(trifluoromethyl)phenyl]-2-oxobutanamide
CID 54411831
4-chloro-5-ethyl-2-nitro-N-(2-phenylmethoxyethyl)aniline
CID 166558321
N-[4-(2-chlorophenoxy)-5-fluoro-2-nitrophenyl]acetamide
CID 139715511
tert-butyl N-(4-chloro-5-ethoxy-2-nitrophenyl)carbamate
CID 69489069
ethyl 4-acetamido-3-nitrobenzoate
CID 2826598
N-(2-chloro-4-ethoxy-6-nitrophenyl)acetamide
CID 91674197
N-(2,3-dimethyl-4-nitrophenyl)acetamide
CID 2931975
CID 59529888
CID 59529888

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-5-ethyl-2-nitrophenyl)acetamide?
The IUPAC name of N-(4-chloro-5-ethyl-2-nitrophenyl)acetamide (CID 119091094) is N-(4-chloro-5-ethyl-2-nitrophenyl)acetamide.
What is the SMILES notation for N-(4-chloro-5-ethyl-2-nitrophenyl)acetamide?
The canonical SMILES for N-(4-chloro-5-ethyl-2-nitrophenyl)acetamide is CCc1cc(NC(C)=O)c([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(4-chloro-5-ethyl-2-nitrophenyl)acetamide?
The InChIKey is WYSAEBGNPSYVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c1-3-7-4-9(12-6(2)14)10(13(15)16)5-8(7)11/h4-5H,3H2,1-2H3,(H,12,14).
What are the key properties of N-(4-chloro-5-ethyl-2-nitrophenyl)acetamide?
N-(4-chloro-5-ethyl-2-nitrophenyl)acetamide has a molecular weight of 242.66 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-5-ethyl-2-nitrophenyl)acetamide is sourced from PubChem (CID 119091094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).