2-(4-aminophenyl)-N-[4-(4-nitrophenyl)butyl]acetamide;hydrochloride

C18H22ClN3O3 — CID 119778289

IUPAC2-(4-aminophenyl)-N-[4-(4-nitrophenyl)butyl]acetamide;hydrochloride
SMILESCl.Nc1ccc(CC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H21N3O3.ClH/c19-16-8-4-15(5-9-16)13-18(22)20-12-2-1-3-14-6-10-17(11-7-14)21(23)24;/h4-11H,1-3,12-13,19H2,(H,20,22);1H
InChIKeyBEIFPRDDRMDODW-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.28
Rot. Bonds8

About 2-(4-aminophenyl)-N-[4-(4-nitrophenyl)butyl]acetamide;hydrochloride

2-(4-aminophenyl)-N-[4-(4-nitrophenyl)butyl]acetamide;hydrochloride (PubChem CID 119778289) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[4-(4-nitrophenyl)butyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[4-(4-nitrophenyl)butyl]acetamide;hydrochloride
PubChem CID119778289
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name2-(4-aminophenyl)-N-[4-(4-nitrophenyl)butyl]acetamide;hydrochloride
SMILESCl.Nc1ccc(CC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H21N3O3.ClH/c19-16-8-4-15(5-9-16)13-18(22)20-12-2-1-3-14-6-10-17(11-7-14)21(23)24;/h4-11H,1-3,12-13,19H2,(H,20,22);1H
InChIKeyBEIFPRDDRMDODW-UHFFFAOYSA-N
XLogP3.28
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[4-(4-nitrophenyl)butyl]propanamide;hydrochloride
CID 119320505
2-(4-nitrophenyl)-N-(3-phenylpropyl)acetamide
CID 3684715
3-amino-N-[4-(4-nitrophenyl)butyl]propanamide
CID 119320506
4-(aminomethyl)-N-[4-(4-nitrophenyl)butyl]benzamide;hydrochloride
CID 119320517
1-amino-N-[4-(4-nitrophenyl)butyl]cyclopropane-1-carboxamide
CID 119778284
N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide
CID 2054852
N-[3-(4-aminophenyl)propyl]-2-(4-chlorophenyl)acetamide
CID 39426671
2,2-dimethyl-4-[4-(4-nitrophenyl)butylamino]-4-oxobutanoic acid
CID 119137649
3-amino-2-methyl-N-[4-(4-nitrophenyl)butyl]butanamide
CID 120500594
N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide
CID 62657388
2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61218715
N-[3-(4-nitrophenyl)propyl]acetamide
CID 58774168

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[4-(4-nitrophenyl)butyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[4-(4-nitrophenyl)butyl]acetamide;hydrochloride (CID 119778289) is 2-(4-aminophenyl)-N-[4-(4-nitrophenyl)butyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[4-(4-nitrophenyl)butyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[4-(4-nitrophenyl)butyl]acetamide;hydrochloride is Cl.Nc1ccc(CC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[4-(4-nitrophenyl)butyl]acetamide;hydrochloride?
The InChIKey is BEIFPRDDRMDODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3.ClH/c19-16-8-4-15(5-9-16)13-18(22)20-12-2-1-3-14-6-10-17(11-7-14)21(23)24;/h4-11H,1-3,12-13,19H2,(H,20,22);1H.
What are the key properties of 2-(4-aminophenyl)-N-[4-(4-nitrophenyl)butyl]acetamide;hydrochloride?
2-(4-aminophenyl)-N-[4-(4-nitrophenyl)butyl]acetamide;hydrochloride has a molecular weight of 363.85 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[4-(4-nitrophenyl)butyl]acetamide;hydrochloride is sourced from PubChem (CID 119778289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).