N-[4-methyl-2-[(2-nitrophenyl)methylamino]phenyl]acetamide

C16H17N3O3 — CID 71981762

IUPACN-[4-methyl-2-[(2-nitrophenyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)cc1NCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H17N3O3/c1-11-7-8-14(18-12(2)20)15(9-11)17-10-13-5-3-4-6-16(13)19(21)22/h3-9,17H,10H2,1-2H3,(H,18,20)
InChIKeySIRGERWJRKQESY-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.47
Rot. Bonds5

About N-[4-methyl-2-[(2-nitrophenyl)methylamino]phenyl]acetamide

N-[4-methyl-2-[(2-nitrophenyl)methylamino]phenyl]acetamide (PubChem CID 71981762) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[4-methyl-2-[(2-nitrophenyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-2-[(2-nitrophenyl)methylamino]phenyl]acetamide
PubChem CID71981762
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[4-methyl-2-[(2-nitrophenyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)cc1NCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H17N3O3/c1-11-7-8-14(18-12(2)20)15(9-11)17-10-13-5-3-4-6-16(13)19(21)22/h3-9,17H,10H2,1-2H3,(H,18,20)
InChIKeySIRGERWJRKQESY-UHFFFAOYSA-N
XLogP3.47
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.47
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-ethyl-N-[(2-nitrophenyl)methyl]aniline
CID 28583356
2-fluoro-N-[(2-fluoro-3-nitrophenyl)methyl]-5-methylaniline
CID 107348912
2-methyl-6-[(4-methyl-2-nitroanilino)methyl]phenol
CID 115951296
5-methyl-2-nitro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 115912414
2,5-dichloro-4-methyl-N-[(2-nitrophenyl)methyl]aniline
CID 104725978
N,N-dimethyl-2-[2-[(2-nitrophenyl)methylamino]phenyl]acetamide
CID 71981770
4-methyl-2-[(5-methyl-2-nitroanilino)methyl]phenol
CID 115912338
(2-nitrophenyl)methylcarbamic acid
CID 18621803
2-bromo-4-nitro-N-[(2-nitrophenyl)methyl]aniline
CID 43742189
N-(2-hydroxy-5-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide
CID 167907178
4-[(2-chlorophenyl)methylamino]-N-(4-methylphenyl)-3-nitrobenzamide
CID 4676214
5-methyl-3-nitro-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 24903305

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-[(2-nitrophenyl)methylamino]phenyl]acetamide?
The IUPAC name of N-[4-methyl-2-[(2-nitrophenyl)methylamino]phenyl]acetamide (CID 71981762) is N-[4-methyl-2-[(2-nitrophenyl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-methyl-2-[(2-nitrophenyl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[4-methyl-2-[(2-nitrophenyl)methylamino]phenyl]acetamide is CC(=O)Nc1ccc(C)cc1NCc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[4-methyl-2-[(2-nitrophenyl)methylamino]phenyl]acetamide?
The InChIKey is SIRGERWJRKQESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11-7-8-14(18-12(2)20)15(9-11)17-10-13-5-3-4-6-16(13)19(21)22/h3-9,17H,10H2,1-2H3,(H,18,20).
What are the key properties of N-[4-methyl-2-[(2-nitrophenyl)methylamino]phenyl]acetamide?
N-[4-methyl-2-[(2-nitrophenyl)methylamino]phenyl]acetamide has a molecular weight of 299.33 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-[(2-nitrophenyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 71981762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).