(7-amino-2,3-dihydroindol-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone

C13H12ClN3O — CID 114455897

IUPAC(7-amino-2,3-dihydroindol-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone
SMILESNc1cccc2c1N(C(=O)c1cc(Cl)c[nH]1)CC2
InChIInChI=1S/C13H12ClN3O/c14-9-6-11(16-7-9)13(18)17-5-4-8-2-1-3-10(15)12(8)17/h1-3,6-7,16H,4-5,15H2
InChIKeyRTYRCYMRCZWEMA-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.45
Rot. Bonds1

About (7-amino-2,3-dihydroindol-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone

(7-amino-2,3-dihydroindol-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone (PubChem CID 114455897) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is (7-amino-2,3-dihydroindol-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(7-amino-2,3-dihydroindol-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone
PubChem CID114455897
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name(7-amino-2,3-dihydroindol-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone
SMILESNc1cccc2c1N(C(=O)c1cc(Cl)c[nH]1)CC2
InChIInChI=1S/C13H12ClN3O/c14-9-6-11(16-7-9)13(18)17-5-4-8-2-1-3-10(15)12(8)17/h1-3,6-7,16H,4-5,15H2
InChIKeyRTYRCYMRCZWEMA-UHFFFAOYSA-N
XLogP2.45
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (7-amino-2,3-dihydroindol-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone 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

(7-amino-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 114455689
(7-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-hydroxyphenyl)methanone
CID 114455583
(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
CID 114455702
(7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone
CID 114455780
7-amino-N-(3-chlorophenyl)-2,3-dihydroindole-1-carboxamide
CID 114455975
1-(4-chloro-1H-pyrrole-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 60698896
4-(7-amino-2,3-dihydroindole-1-carbonyl)-6-hydroxy-1H-pyridin-2-one
CID 114455746
(7-amino-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone
CID 114455754
(7-amino-2,3-dihydroindol-1-yl)-(2-fluorophenyl)methanone
CID 114455598
(7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone
CID 114455948
(7-amino-2,3-dihydroindol-1-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 114455584
(7-amino-2,3-dihydroindol-1-yl)-[4-(4-fluorophenoxy)phenyl]methanone
CID 155969335

Frequently Asked Questions

What is the IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone?
The IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone (CID 114455897) is (7-amino-2,3-dihydroindol-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (7-amino-2,3-dihydroindol-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone?
The canonical SMILES for (7-amino-2,3-dihydroindol-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone is Nc1cccc2c1N(C(=O)c1cc(Cl)c[nH]1)CC2.
What is the InChIKey of (7-amino-2,3-dihydroindol-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone?
The InChIKey is RTYRCYMRCZWEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-9-6-11(16-7-9)13(18)17-5-4-8-2-1-3-10(15)12(8)17/h1-3,6-7,16H,4-5,15H2.
What are the key properties of (7-amino-2,3-dihydroindol-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone?
(7-amino-2,3-dihydroindol-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone has a molecular weight of 261.71 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-2,3-dihydroindol-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 114455897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).