2-(benzhydrylamino)-N-(4-methyl-2-nitrophenyl)acetamide

C22H21N3O3 — CID 7778820

IUPAC2-(benzhydrylamino)-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)CNC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C22H21N3O3/c1-16-12-13-19(20(14-16)25(27)28)24-21(26)15-23-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14,22-23H,15H2,1H3,(H,24,26)
InChIKeyBDYWQMRLCRFNCE-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.22
Rot. Bonds7

About 2-(benzhydrylamino)-N-(4-methyl-2-nitrophenyl)acetamide

2-(benzhydrylamino)-N-(4-methyl-2-nitrophenyl)acetamide (PubChem CID 7778820) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(benzhydrylamino)-N-(4-methyl-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(benzhydrylamino)-N-(4-methyl-2-nitrophenyl)acetamide
PubChem CID7778820
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-(benzhydrylamino)-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)CNC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C22H21N3O3/c1-16-12-13-19(20(14-16)25(27)28)24-21(26)15-23-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14,22-23H,15H2,1H3,(H,24,26)
InChIKeyBDYWQMRLCRFNCE-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-(5-chloro-2-nitrophenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393376
2-(methylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 43218210
N-(2-chloro-4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392747
benzhydryl 4-(4-methyl-2-nitroanilino)-4-oxobutanoate
CID 9172228
N-(4-chloro-2-nitrophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898566
N-(2,3-dimethyl-6-nitrophenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 8710728
2-(benzhydrylamino)-N-(2-methyl-6-nitrophenyl)acetamide
CID 8545864
2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
CID 3415346
N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide
CID 4123173
2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 26416386
2-(benzhydrylamino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9101632
N-(4,5-dimethyl-2-nitrophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051915

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-N-(4-methyl-2-nitrophenyl)acetamide?
The IUPAC name of 2-(benzhydrylamino)-N-(4-methyl-2-nitrophenyl)acetamide (CID 7778820) is 2-(benzhydrylamino)-N-(4-methyl-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(benzhydrylamino)-N-(4-methyl-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(benzhydrylamino)-N-(4-methyl-2-nitrophenyl)acetamide is Cc1ccc(NC(=O)CNC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(benzhydrylamino)-N-(4-methyl-2-nitrophenyl)acetamide?
The InChIKey is BDYWQMRLCRFNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-16-12-13-19(20(14-16)25(27)28)24-21(26)15-23-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14,22-23H,15H2,1H3,(H,24,26).
What are the key properties of 2-(benzhydrylamino)-N-(4-methyl-2-nitrophenyl)acetamide?
2-(benzhydrylamino)-N-(4-methyl-2-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-(4-methyl-2-nitrophenyl)acetamide is sourced from PubChem (CID 7778820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).