1-(2-chloro-1-phenylindol-3-yl)-2-diazoethanone

C16H10ClN3O — CID 3909545

IUPAC1-(2-chloro-1-phenylindol-3-yl)-2-diazoethanone
SMILES[N-]=[N+]=CC(=O)c1c(Cl)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C16H10ClN3O/c17-16-15(14(21)10-19-18)12-8-4-5-9-13(12)20(16)11-6-2-1-3-7-11/h1-10H
InChIKeyNPHOZFXSGSUGHP-UHFFFAOYSA-N
MW295.73 g/mol
LogP3.77
Rot. Bonds3

About 1-(2-chloro-1-phenylindol-3-yl)-2-diazoethanone

1-(2-chloro-1-phenylindol-3-yl)-2-diazoethanone (PubChem CID 3909545) has the molecular formula C16H10ClN3O and a molecular weight of 295.73 g/mol. Its IUPAC name is 1-(2-chloro-1-phenylindol-3-yl)-2-diazoethanone.

Molecular Properties

Compound Name1-(2-chloro-1-phenylindol-3-yl)-2-diazoethanone
PubChem CID3909545
Molecular FormulaC16H10ClN3O
Molecular Weight295.73 g/mol
Exact Mass295.05
IUPAC Name1-(2-chloro-1-phenylindol-3-yl)-2-diazoethanone
SMILES[N-]=[N+]=CC(=O)c1c(Cl)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C16H10ClN3O/c17-16-15(14(21)10-19-18)12-8-4-5-9-13(12)20(16)11-6-2-1-3-7-11/h1-10H
InChIKeyNPHOZFXSGSUGHP-UHFFFAOYSA-N
XLogP3.77
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-(2-chloro-1-phenylindol-3-yl)-2-diazoethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide
CID 131882607
2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide;hydrochloride
CID 131882606
(4-benzylpiperazin-1-yl)-(2-chloro-1-phenylindol-3-yl)methanone;hydrochloride
CID 76852601
2-chloro-N-[2-(diethylamino)ethyl]-1-phenylindole-3-carboxamide
CID 76852576
3-bromo-1-phenylindole-2-carboxylic acid
CID 102533933
2-difluoroboranyloxy-1-phenylindole-3-carboxamide
CID 132991104
2-(9-phenylcarbazol-4-yl)acetic acid
CID 154200316
4-chloro-N-(3-methyl-1-phenylindol-2-yl)benzamide
CID 3071692
2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid
CID 22287027
2-(3-bromo-1-phenylindol-2-yl)acetic acid
CID 70874542
4-(2-oxo-1-phenylquinolin-4-yl)-1-phenylquinolin-2-one
CID 11503080
1-(4-methoxyphenyl)-2-methylindole-3-carboxylic acid
CID 172684717

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-1-phenylindol-3-yl)-2-diazoethanone?
The IUPAC name of 1-(2-chloro-1-phenylindol-3-yl)-2-diazoethanone (CID 3909545) is 1-(2-chloro-1-phenylindol-3-yl)-2-diazoethanone.
What is the SMILES notation for 1-(2-chloro-1-phenylindol-3-yl)-2-diazoethanone?
The canonical SMILES for 1-(2-chloro-1-phenylindol-3-yl)-2-diazoethanone is [N-]=[N+]=CC(=O)c1c(Cl)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of 1-(2-chloro-1-phenylindol-3-yl)-2-diazoethanone?
The InChIKey is NPHOZFXSGSUGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O/c17-16-15(14(21)10-19-18)12-8-4-5-9-13(12)20(16)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 1-(2-chloro-1-phenylindol-3-yl)-2-diazoethanone?
1-(2-chloro-1-phenylindol-3-yl)-2-diazoethanone has a molecular weight of 295.73 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-1-phenylindol-3-yl)-2-diazoethanone is sourced from PubChem (CID 3909545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).