2-(4-aminophenyl)-N-(1H-indol-4-yl)acetamide

C16H15N3O — CID 110472744

IUPAC2-(4-aminophenyl)-N-(1H-indol-4-yl)acetamide
SMILESNc1ccc(CC(=O)Nc2cccc3[nH]ccc23)cc1
InChIInChI=1S/C16H15N3O/c17-12-6-4-11(5-7-12)10-16(20)19-15-3-1-2-14-13(15)8-9-18-14/h1-9,18H,10,17H2,(H,19,20)
InChIKeyAHOVAIKVNOXPKB-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.93
Rot. Bonds3

About 2-(4-aminophenyl)-N-(1H-indol-4-yl)acetamide

2-(4-aminophenyl)-N-(1H-indol-4-yl)acetamide (PubChem CID 110472744) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(1H-indol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(1H-indol-4-yl)acetamide
PubChem CID110472744
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-(4-aminophenyl)-N-(1H-indol-4-yl)acetamide
SMILESNc1ccc(CC(=O)Nc2cccc3[nH]ccc23)cc1
InChIInChI=1S/C16H15N3O/c17-12-6-4-11(5-7-12)10-16(20)19-15-3-1-2-14-13(15)8-9-18-14/h1-9,18H,10,17H2,(H,19,20)
InChIKeyAHOVAIKVNOXPKB-UHFFFAOYSA-N
XLogP2.93
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(1H-indol-4-yl)acetamide
CID 110470011
2-(1H-indol-3-yl)-N-(1H-indol-4-yl)acetamide
CID 110745009
N-(2-hydroxyphenyl)-2-(1H-indol-4-yl)acetamide
CID 139642119
N-(1H-indol-4-yl)-2-(2-phenylethylamino)acetamide
CID 141013500
N-(1H-indol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110473029
N-(1H-indol-4-yl)-4-(methylamino)butanamide;hydrochloride
CID 119706198
2-(4-aminophenyl)-N-[3-chloro-2-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 86813908
N-(1H-indol-4-yl)-2,2-dimethylpropanamide
CID 110730904
2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide
CID 110470939
fluoro N-(1H-indol-4-yl)carbamate
CID 174803649
N-[(4-chlorophenyl)methyl]-N'-(1H-indol-4-yl)oxamide
CID 39309484
2-(4-aminophenyl)-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]acetamide
CID 119747202

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(1H-indol-4-yl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-(1H-indol-4-yl)acetamide (CID 110472744) is 2-(4-aminophenyl)-N-(1H-indol-4-yl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(1H-indol-4-yl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(1H-indol-4-yl)acetamide is Nc1ccc(CC(=O)Nc2cccc3[nH]ccc23)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(1H-indol-4-yl)acetamide?
The InChIKey is AHOVAIKVNOXPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-12-6-4-11(5-7-12)10-16(20)19-15-3-1-2-14-13(15)8-9-18-14/h1-9,18H,10,17H2,(H,19,20).
What are the key properties of 2-(4-aminophenyl)-N-(1H-indol-4-yl)acetamide?
2-(4-aminophenyl)-N-(1H-indol-4-yl)acetamide has a molecular weight of 265.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(1H-indol-4-yl)acetamide is sourced from PubChem (CID 110472744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).