2-(benzhydrylamino)-N-(2-methoxy-5-nitrophenyl)acetamide

C22H21N3O4 — CID 9101632

IUPAC2-(benzhydrylamino)-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21N3O4/c1-29-20-13-12-18(25(27)28)14-19(20)24-21(26)15-23-22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,22-23H,15H2,1H3,(H,24,26)
InChIKeyXWIRKULXSKZJII-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.92
Rot. Bonds8

About 2-(benzhydrylamino)-N-(2-methoxy-5-nitrophenyl)acetamide

2-(benzhydrylamino)-N-(2-methoxy-5-nitrophenyl)acetamide (PubChem CID 9101632) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-(benzhydrylamino)-N-(2-methoxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(benzhydrylamino)-N-(2-methoxy-5-nitrophenyl)acetamide
PubChem CID9101632
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name2-(benzhydrylamino)-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21N3O4/c1-29-20-13-12-18(25(27)28)14-19(20)24-21(26)15-23-22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,22-23H,15H2,1H3,(H,24,26)
InChIKeyXWIRKULXSKZJII-UHFFFAOYSA-N
XLogP3.92
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(3R)-N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 1307684
2-(benzhydrylamino)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24565249
methyl (2S)-2-[[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]amino]-2-phenylacetate
CID 52527061
N-benzhydryl-2-methoxy-5-nitroaniline
CID 2489016
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736
(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
CID 897896
2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 60537329
(3R)-5-(3,4-dimethylphenyl)-N-(2-methoxy-5-nitrophenyl)-4-oxo-3-phenylpentanamide
CID 159611555
N-(5-acetamido-2-methoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 8641820
2-(2,3-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9080810
3-[benzyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 4285905
2-(2-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9099396

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-N-(2-methoxy-5-nitrophenyl)acetamide?
The IUPAC name of 2-(benzhydrylamino)-N-(2-methoxy-5-nitrophenyl)acetamide (CID 9101632) is 2-(benzhydrylamino)-N-(2-methoxy-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(benzhydrylamino)-N-(2-methoxy-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(benzhydrylamino)-N-(2-methoxy-5-nitrophenyl)acetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CNC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzhydrylamino)-N-(2-methoxy-5-nitrophenyl)acetamide?
The InChIKey is XWIRKULXSKZJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-29-20-13-12-18(25(27)28)14-19(20)24-21(26)15-23-22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,22-23H,15H2,1H3,(H,24,26).
What are the key properties of 2-(benzhydrylamino)-N-(2-methoxy-5-nitrophenyl)acetamide?
2-(benzhydrylamino)-N-(2-methoxy-5-nitrophenyl)acetamide has a molecular weight of 391.43 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)-N-(2-methoxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 9101632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).