N-[(4-aminophenyl)methyl]-2-(2-nitrophenyl)acetamide

C15H15N3O3 — CID 116649980

IUPACN-[(4-aminophenyl)methyl]-2-(2-nitrophenyl)acetamide
SMILESNc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O3/c16-13-7-5-11(6-8-13)10-17-15(19)9-12-3-1-2-4-14(12)18(20)21/h1-8H,9-10,16H2,(H,17,19)
InChIKeyAQSUNRPTMBBMBH-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.04
Rot. Bonds5

About N-[(4-aminophenyl)methyl]-2-(2-nitrophenyl)acetamide

N-[(4-aminophenyl)methyl]-2-(2-nitrophenyl)acetamide (PubChem CID 116649980) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-2-(2-nitrophenyl)acetamide
PubChem CID116649980
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-[(4-aminophenyl)methyl]-2-(2-nitrophenyl)acetamide
SMILESNc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O3/c16-13-7-5-11(6-8-13)10-17-15(19)9-12-3-1-2-4-14(12)18(20)21/h1-8H,9-10,16H2,(H,17,19)
InChIKeyAQSUNRPTMBBMBH-UHFFFAOYSA-N
XLogP2.04
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', '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

N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 743835
2-(2-nitrophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 92672267
2-(2-nitrophenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 18153736
N-benzyl-4-(2-nitrophenyl)butanamide
CID 118501248
2-(2-hydroxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide
CID 24873981
2-(4-aminophenyl)-N-(2-nitrophenyl)acetamide
CID 43708294
(2-nitrophenyl)methylcarbamic acid
CID 18621803
2-hydroxy-3-[[2-(2-nitrophenyl)acetyl]amino]propanamide
CID 107261265
N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide
CID 32602817
methyl 2-methoxy-5-[[[2-(2-nitrophenyl)acetyl]amino]methyl]benzoate
CID 27817613
N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide
CID 65110200
N-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide
CID 83030865

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-2-(2-nitrophenyl)acetamide (CID 116649980) is N-[(4-aminophenyl)methyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-2-(2-nitrophenyl)acetamide is Nc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is AQSUNRPTMBBMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-13-7-5-11(6-8-13)10-17-15(19)9-12-3-1-2-4-14(12)18(20)21/h1-8H,9-10,16H2,(H,17,19).
What are the key properties of N-[(4-aminophenyl)methyl]-2-(2-nitrophenyl)acetamide?
N-[(4-aminophenyl)methyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 285.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 116649980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).