1-[4-[(4-chloro-3-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide

C21H17ClFN3O — CID 122653712

IUPAC1-[4-[(4-chloro-3-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESNC(=O)c1cccc2c1CCN2c1cc(Cc2ccc(Cl)c(F)c2)ccn1
InChIInChI=1S/C21H17ClFN3O/c22-17-5-4-13(11-18(17)23)10-14-6-8-25-20(12-14)26-9-7-15-16(21(24)27)2-1-3-19(15)26/h1-6,8,11-12H,7,9-10H2,(H2,24,27)
InChIKeyBWZCYQACBUPQGT-UHFFFAOYSA-N
MW381.84 g/mol
LogP4.26
Rot. Bonds4

About 1-[4-[(4-chloro-3-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide

1-[4-[(4-chloro-3-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (PubChem CID 122653712) has the molecular formula C21H17ClFN3O and a molecular weight of 381.84 g/mol. Its IUPAC name is 1-[4-[(4-chloro-3-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-chloro-3-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
PubChem CID122653712
Molecular FormulaC21H17ClFN3O
Molecular Weight381.84 g/mol
Exact Mass381.10
IUPAC Name1-[4-[(4-chloro-3-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESNC(=O)c1cccc2c1CCN2c1cc(Cc2ccc(Cl)c(F)c2)ccn1
InChIInChI=1S/C21H17ClFN3O/c22-17-5-4-13(11-18(17)23)10-14-6-8-25-20(12-14)26-9-7-15-16(21(24)27)2-1-3-19(15)26/h1-6,8,11-12H,7,9-10H2,(H2,24,27)
InChIKeyBWZCYQACBUPQGT-UHFFFAOYSA-N
XLogP4.26
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(4-chloro-3-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chloro-3-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[4-[(4-chloro-3-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (CID 122653712) is 1-[4-[(4-chloro-3-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-[4-[(4-chloro-3-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[4-[(4-chloro-3-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is NC(=O)c1cccc2c1CCN2c1cc(Cc2ccc(Cl)c(F)c2)ccn1.
What is the InChIKey of 1-[4-[(4-chloro-3-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is BWZCYQACBUPQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O/c22-17-5-4-13(11-18(17)23)10-14-6-8-25-20(12-14)26-9-7-15-16(21(24)27)2-1-3-19(15)26/h1-6,8,11-12H,7,9-10H2,(H2,24,27).
What are the key properties of 1-[4-[(4-chloro-3-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
1-[4-[(4-chloro-3-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 381.84 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chloro-3-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 122653712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).