N-(3-methylphenyl)-2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide

C22H21N3O3 — CID 42852606

IUPACN-(3-methylphenyl)-2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide
SMILESCc1cccc(NC(=O)Cc2ccc(NCc3ccc([N+](=O)[O-])cc3)cc2)c1
InChIInChI=1S/C22H21N3O3/c1-16-3-2-4-20(13-16)24-22(26)14-17-5-9-19(10-6-17)23-15-18-7-11-21(12-8-18)25(27)28/h2-13,23H,14-15H2,1H3,(H,24,26)
InChIKeyLCFNENIDIIONFT-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.70
Rot. Bonds7

About N-(3-methylphenyl)-2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide

N-(3-methylphenyl)-2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide (PubChem CID 42852606) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide
PubChem CID42852606
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-(3-methylphenyl)-2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide
SMILESCc1cccc(NC(=O)Cc2ccc(NCc3ccc([N+](=O)[O-])cc3)cc2)c1
InChIInChI=1S/C22H21N3O3/c1-16-3-2-4-20(13-16)24-22(26)14-17-5-9-19(10-6-17)23-15-18-7-11-21(12-8-18)25(27)28/h2-13,23H,14-15H2,1H3,(H,24,26)
InChIKeyLCFNENIDIIONFT-UHFFFAOYSA-N
XLogP4.70
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.70
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

N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide
CID 3317661
N-(3,4-dimethylphenyl)-2-(4-nitrophenyl)acetamide
CID 4536667
N-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
4-methyl-N-[(4-nitrophenyl)methyl]aniline
CID 1132994
N-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide
CID 34110855
3-nitro-N-[(4-nitrophenyl)methyl]aniline
CID 9274128
N-(3-methylphenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide
CID 46045434
2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide
CID 43724024
2-[4-(aminomethyl)phenyl]-N-(3-methylphenyl)acetamide
CID 63590654
2-[[5-[(3-methylanilino)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
CID 3131967
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 26289356
3-methyl-N-[(3-methylphenyl)methyl]-5-nitroaniline
CID 112649015

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide (CID 42852606) is N-(3-methylphenyl)-2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide is Cc1cccc(NC(=O)Cc2ccc(NCc3ccc([N+](=O)[O-])cc3)cc2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide?
The InChIKey is LCFNENIDIIONFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-16-3-2-4-20(13-16)24-22(26)14-17-5-9-19(10-6-17)23-15-18-7-11-21(12-8-18)25(27)28/h2-13,23H,14-15H2,1H3,(H,24,26).
What are the key properties of N-(3-methylphenyl)-2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide?
N-(3-methylphenyl)-2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide has a molecular weight of 375.43 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 42852606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).