2-chloro-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide

C10H11ClN2O4 — CID 17385923

IUPAC2-chloro-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CCl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11ClN2O4/c1-17-9-3-2-7(4-8(9)13(15)16)6-12-10(14)5-11/h2-4H,5-6H2,1H3,(H,12,14)
InChIKeyXLHIGJCJVDNHGO-UHFFFAOYSA-N
MW258.66 g/mol
LogP1.46
Rot. Bonds5

About 2-chloro-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide

2-chloro-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide (PubChem CID 17385923) has the molecular formula C10H11ClN2O4 and a molecular weight of 258.66 g/mol. Its IUPAC name is 2-chloro-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide
PubChem CID17385923
Molecular FormulaC10H11ClN2O4
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC Name2-chloro-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CCl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11ClN2O4/c1-17-9-3-2-7(4-8(9)13(15)16)6-12-10(14)5-11/h2-4H,5-6H2,1H3,(H,12,14)
InChIKeyXLHIGJCJVDNHGO-UHFFFAOYSA-N
XLogP1.46
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(4-methoxy-3-nitrophenyl)methyl]carbamate
CID 22981317
2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide
CID 166403835
N-[(4-methoxy-3-nitrophenyl)methyl]propan-1-amine
CID 29045280
4-(2-chloroethyl)-1-methoxy-2-nitrobenzene
CID 19438355
N-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide
CID 13465084
methyl 3-(4-methoxy-3-nitrophenyl)-2-oxopropanoate
CID 96827543
2-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dimethylhydrazine
CID 83013842
2-[(4-methoxy-3-nitrophenyl)methylamino]propan-1-ol
CID 43499927
3-methoxy-2-[(4-methoxy-3-nitrophenyl)methyl]-3-oxopropanoic acid
CID 103973341
2-chloro-N-[(4-methoxy-3-propoxyphenyl)methyl]acetamide
CID 82110117
3-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pentan-3-amine
CID 65039851
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide
CID 17383276

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide (CID 17385923) is 2-chloro-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide is COc1ccc(CNC(=O)CCl)cc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide?
The InChIKey is XLHIGJCJVDNHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4/c1-17-9-3-2-7(4-8(9)13(15)16)6-12-10(14)5-11/h2-4H,5-6H2,1H3,(H,12,14).
What are the key properties of 2-chloro-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide?
2-chloro-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide has a molecular weight of 258.66 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide is sourced from PubChem (CID 17385923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).