2-anilino-N-(2-methyl-3-nitrophenyl)acetamide

C15H15N3O3 — CID 60646897

IUPAC2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)CNc2ccccc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O3/c1-11-13(8-5-9-14(11)18(20)21)17-15(19)10-16-12-6-3-2-4-7-12/h2-9,16H,10H2,1H3,(H,17,19)
InChIKeySFOJVEINISGELB-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.95
Rot. Bonds5

About 2-anilino-N-(2-methyl-3-nitrophenyl)acetamide

2-anilino-N-(2-methyl-3-nitrophenyl)acetamide (PubChem CID 60646897) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-anilino-N-(2-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
PubChem CID60646897
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)CNc2ccccc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O3/c1-11-13(8-5-9-14(11)18(20)21)17-15(19)10-16-12-6-3-2-4-7-12/h2-9,16H,10H2,1H3,(H,17,19)
InChIKeySFOJVEINISGELB-UHFFFAOYSA-N
XLogP2.95
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.95
H-Bond Donors ≤ 52
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

2-(4-ethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 51178521
2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 34067918
N-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 26525537
N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 55544484
2-(2,4-dimethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26416516
4-[[2-(2-methyl-3-nitroanilino)acetyl]amino]benzamide
CID 37479645
N-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 9102349
(2-methyl-3-nitrophenyl)urea
CID 22416531
2-(4-chloro-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26507122
2-anilino-N-(3-bromo-2-methylphenyl)acetamide
CID 50874354
4-methyl-N-(2-methyl-3-nitrophenyl)pentanamide
CID 4800327
N-(2-methyl-3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
CID 43025525

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(2-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-anilino-N-(2-methyl-3-nitrophenyl)acetamide (CID 60646897) is 2-anilino-N-(2-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-anilino-N-(2-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-anilino-N-(2-methyl-3-nitrophenyl)acetamide is Cc1c(NC(=O)CNc2ccccc2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-anilino-N-(2-methyl-3-nitrophenyl)acetamide?
The InChIKey is SFOJVEINISGELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-11-13(8-5-9-14(11)18(20)21)17-15(19)10-16-12-6-3-2-4-7-12/h2-9,16H,10H2,1H3,(H,17,19).
What are the key properties of 2-anilino-N-(2-methyl-3-nitrophenyl)acetamide?
2-anilino-N-(2-methyl-3-nitrophenyl)acetamide has a molecular weight of 285.30 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(2-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 60646897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).