N-[(2-methyl-3-nitrophenyl)methyl]acetamide

C10H12N2O3 — CID 103113652

IUPACN-[(2-methyl-3-nitrophenyl)methyl]acetamide
SMILESCC(=O)NCc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C10H12N2O3/c1-7-9(6-11-8(2)13)4-3-5-10(7)12(14)15/h3-5H,6H2,1-2H3,(H,11,13)
InChIKeySVSBZRAVWZCCMX-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.54
Rot. Bonds3

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

N-[(2-methyl-3-nitrophenyl)methyl]acetamide (PubChem CID 103113652) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is N-[(2-methyl-3-nitrophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-methyl-3-nitrophenyl)methyl]acetamide
PubChem CID103113652
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC NameN-[(2-methyl-3-nitrophenyl)methyl]acetamide
SMILESCC(=O)NCc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C10H12N2O3/c1-7-9(6-11-8(2)13)4-3-5-10(7)12(14)15/h3-5H,6H2,1-2H3,(H,11,13)
InChIKeySVSBZRAVWZCCMX-UHFFFAOYSA-N
XLogP1.54
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.54
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-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 22170308
2-[(2-methyl-3-nitrophenyl)methylamino]ethylurea
CID 83113507
2-methyl-2-(methylamino)-N-[(2-methyl-3-nitrophenyl)methyl]propanamide
CID 103109500
2-bromo-3-methyl-N-[(2-methyl-3-nitrophenyl)methyl]butanamide
CID 103114767
N-methyl-1-(2-methyl-3-nitrophenyl)methanamine
CID 43508926
5-hydroxy-N-[(2-methyl-3-nitrophenyl)methyl]pentanamide
CID 103113657
2-bromo-N-[(2-methyl-3-nitrophenyl)methyl]benzamide
CID 103110629
2-amino-N-[(2-methyl-3-nitrophenyl)methyl]butanediamide
CID 103109428
2-(2-methoxyethylamino)-N-[(2-methyl-3-nitrophenyl)methyl]acetamide
CID 103109333
2-[(2-methyl-3-nitrophenyl)methylcarbamoylamino]oxyacetic acid
CID 103112801
(2R)-2-[(2-methyl-3-nitrophenyl)methylamino]propanoic acid
CID 83194932
1-[(2-methyl-3-nitrophenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 103113094

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3-nitrophenyl)methyl]acetamide?
The IUPAC name of N-[(2-methyl-3-nitrophenyl)methyl]acetamide (CID 103113652) is N-[(2-methyl-3-nitrophenyl)methyl]acetamide.
What is the SMILES notation for N-[(2-methyl-3-nitrophenyl)methyl]acetamide?
The canonical SMILES for N-[(2-methyl-3-nitrophenyl)methyl]acetamide is CC(=O)NCc1cccc([N+](=O)[O-])c1C.
What is the InChIKey of N-[(2-methyl-3-nitrophenyl)methyl]acetamide?
The InChIKey is SVSBZRAVWZCCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-7-9(6-11-8(2)13)4-3-5-10(7)12(14)15/h3-5H,6H2,1-2H3,(H,11,13).
What are the key properties of N-[(2-methyl-3-nitrophenyl)methyl]acetamide?
N-[(2-methyl-3-nitrophenyl)methyl]acetamide has a molecular weight of 208.22 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3-nitrophenyl)methyl]acetamide is sourced from PubChem (CID 103113652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).