2-(benzhydrylamino)-N-(2-methyl-6-nitrophenyl)acetamide

C22H21N3O3 — CID 8545864

IUPAC2-(benzhydrylamino)-N-(2-methyl-6-nitrophenyl)acetamide
SMILESCc1cccc([N+](=O)[O-])c1NC(=O)CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21N3O3/c1-16-9-8-14-19(25(27)28)21(16)24-20(26)15-23-22(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-14,22-23H,15H2,1H3,(H,24,26)
InChIKeyIUIIGGSERZPXCT-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.22
Rot. Bonds7

About 2-(benzhydrylamino)-N-(2-methyl-6-nitrophenyl)acetamide

2-(benzhydrylamino)-N-(2-methyl-6-nitrophenyl)acetamide (PubChem CID 8545864) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(benzhydrylamino)-N-(2-methyl-6-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(benzhydrylamino)-N-(2-methyl-6-nitrophenyl)acetamide
PubChem CID8545864
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-(benzhydrylamino)-N-(2-methyl-6-nitrophenyl)acetamide
SMILESCc1cccc([N+](=O)[O-])c1NC(=O)CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21N3O3/c1-16-9-8-14-19(25(27)28)21(16)24-20(26)15-23-22(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-14,22-23H,15H2,1H3,(H,24,26)
InChIKeyIUIIGGSERZPXCT-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
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-(2,3-dimethyl-6-nitrophenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 8710728
N-(2-methyl-6-nitrophenyl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8998041
N-(2,3-dimethyl-6-nitrophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755838
2-(benzhydrylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 7778820
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392402
N-(2-methyl-6-nitrophenyl)benzamide
CID 4188986
2-(benzhydrylamino)-N-(2,6-diethylphenyl)acetamide
CID 2620925
2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 9377822
1-(2-methyl-6-nitrophenyl)-3-phenylurea
CID 3703717
N-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide
CID 3384916
N-(5-chloro-2-nitrophenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393376
N-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393022

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-N-(2-methyl-6-nitrophenyl)acetamide?
The IUPAC name of 2-(benzhydrylamino)-N-(2-methyl-6-nitrophenyl)acetamide (CID 8545864) is 2-(benzhydrylamino)-N-(2-methyl-6-nitrophenyl)acetamide.
What is the SMILES notation for 2-(benzhydrylamino)-N-(2-methyl-6-nitrophenyl)acetamide?
The canonical SMILES for 2-(benzhydrylamino)-N-(2-methyl-6-nitrophenyl)acetamide is Cc1cccc([N+](=O)[O-])c1NC(=O)CNC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzhydrylamino)-N-(2-methyl-6-nitrophenyl)acetamide?
The InChIKey is IUIIGGSERZPXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-16-9-8-14-19(25(27)28)21(16)24-20(26)15-23-22(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-14,22-23H,15H2,1H3,(H,24,26).
What are the key properties of 2-(benzhydrylamino)-N-(2-methyl-6-nitrophenyl)acetamide?
2-(benzhydrylamino)-N-(2-methyl-6-nitrophenyl)acetamide has a molecular weight of 375.43 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)-N-(2-methyl-6-nitrophenyl)acetamide is sourced from PubChem (CID 8545864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).