N-methyl-2-[4-[[2-(2-nitrophenyl)acetyl]amino]phenyl]-N-phenylacetamide

C23H21N3O4 — CID 60533837

IUPACN-methyl-2-[4-[[2-(2-nitrophenyl)acetyl]amino]phenyl]-N-phenylacetamide
SMILESCN(C(=O)Cc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C23H21N3O4/c1-25(20-8-3-2-4-9-20)23(28)15-17-11-13-19(14-12-17)24-22(27)16-18-7-5-6-10-21(18)26(29)30/h2-14H,15-16H2,1H3,(H,24,27)
InChIKeyOSNSFYLORKTXMU-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.98
Rot. Bonds7

About N-methyl-2-[4-[[2-(2-nitrophenyl)acetyl]amino]phenyl]-N-phenylacetamide

N-methyl-2-[4-[[2-(2-nitrophenyl)acetyl]amino]phenyl]-N-phenylacetamide (PubChem CID 60533837) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-methyl-2-[4-[[2-(2-nitrophenyl)acetyl]amino]phenyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[[2-(2-nitrophenyl)acetyl]amino]phenyl]-N-phenylacetamide
PubChem CID60533837
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-methyl-2-[4-[[2-(2-nitrophenyl)acetyl]amino]phenyl]-N-phenylacetamide
SMILESCN(C(=O)Cc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C23H21N3O4/c1-25(20-8-3-2-4-9-20)23(28)15-17-11-13-19(14-12-17)24-22(27)16-18-7-5-6-10-21(18)26(29)30/h2-14H,15-16H2,1H3,(H,24,27)
InChIKeyOSNSFYLORKTXMU-UHFFFAOYSA-N
XLogP3.98
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
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-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide
CID 887556
N-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide
CID 51154622
2-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 956534
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide
CID 3250699
2-(2-nitrophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 1309880
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(2-nitrophenyl)acetamide
CID 47038041
(2S)-2-amino-3,3-dimethyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]butanamide;hydrochloride
CID 119739604
N-(3-chloro-4-methylphenyl)-2-(2-nitrophenyl)acetamide
CID 3384920
(2S)-2-amino-4-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pentanamide;hydrochloride
CID 119739628
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-nitrophenyl)acetamide
CID 25435774
N-(4-anilinophenyl)-4-(2-nitrophenyl)butanamide
CID 141025082
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-nitrophenyl)acetamide
CID 35729144

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[[2-(2-nitrophenyl)acetyl]amino]phenyl]-N-phenylacetamide?
The IUPAC name of N-methyl-2-[4-[[2-(2-nitrophenyl)acetyl]amino]phenyl]-N-phenylacetamide (CID 60533837) is N-methyl-2-[4-[[2-(2-nitrophenyl)acetyl]amino]phenyl]-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-[4-[[2-(2-nitrophenyl)acetyl]amino]phenyl]-N-phenylacetamide?
The canonical SMILES for N-methyl-2-[4-[[2-(2-nitrophenyl)acetyl]amino]phenyl]-N-phenylacetamide is CN(C(=O)Cc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of N-methyl-2-[4-[[2-(2-nitrophenyl)acetyl]amino]phenyl]-N-phenylacetamide?
The InChIKey is OSNSFYLORKTXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-25(20-8-3-2-4-9-20)23(28)15-17-11-13-19(14-12-17)24-22(27)16-18-7-5-6-10-21(18)26(29)30/h2-14H,15-16H2,1H3,(H,24,27).
What are the key properties of N-methyl-2-[4-[[2-(2-nitrophenyl)acetyl]amino]phenyl]-N-phenylacetamide?
N-methyl-2-[4-[[2-(2-nitrophenyl)acetyl]amino]phenyl]-N-phenylacetamide has a molecular weight of 403.44 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[[2-(2-nitrophenyl)acetyl]amino]phenyl]-N-phenylacetamide is sourced from PubChem (CID 60533837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).