4-fluoro-7-methyl-N-[3-(pyrrolidine-2-carbonylamino)phenyl]-2,3-dihydro-1H-indole-2-carboxamide

C21H23FN4O2 — CID 146395559

IUPAC4-fluoro-7-methyl-N-[3-(pyrrolidine-2-carbonylamino)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)Nc1cccc(NC(=O)C3CCCN3)c1)C2
InChIInChI=1S/C21H23FN4O2/c1-12-7-8-16(22)15-11-18(26-19(12)15)21(28)25-14-5-2-4-13(10-14)24-20(27)17-6-3-9-23-17/h2,4-5,7-8,10,17-18,23,26H,3,6,9,11H2,1H3,(H,24,27)(H,25,28)
InChIKeyYQSVYJAZJYKEOK-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.80
Rot. Bonds4

About 4-fluoro-7-methyl-N-[3-(pyrrolidine-2-carbonylamino)phenyl]-2,3-dihydro-1H-indole-2-carboxamide

4-fluoro-7-methyl-N-[3-(pyrrolidine-2-carbonylamino)phenyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146395559) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 4-fluoro-7-methyl-N-[3-(pyrrolidine-2-carbonylamino)phenyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-7-methyl-N-[3-(pyrrolidine-2-carbonylamino)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146395559
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name4-fluoro-7-methyl-N-[3-(pyrrolidine-2-carbonylamino)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)Nc1cccc(NC(=O)C3CCCN3)c1)C2
InChIInChI=1S/C21H23FN4O2/c1-12-7-8-16(22)15-11-18(26-19(12)15)21(28)25-14-5-2-4-13(10-14)24-20(27)17-6-3-9-23-17/h2,4-5,7-8,10,17-18,23,26H,3,6,9,11H2,1H3,(H,24,27)(H,25,28)
InChIKeyYQSVYJAZJYKEOK-UHFFFAOYSA-N
XLogP2.80
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methyl-N-[3-(pyrrolidine-2-carbonylamino)phenyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-7-methyl-N-[3-(pyrrolidine-2-carbonylamino)phenyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 146395559) is 4-fluoro-7-methyl-N-[3-(pyrrolidine-2-carbonylamino)phenyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-7-methyl-N-[3-(pyrrolidine-2-carbonylamino)phenyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-7-methyl-N-[3-(pyrrolidine-2-carbonylamino)phenyl]-2,3-dihydro-1H-indole-2-carboxamide is Cc1ccc(F)c2c1NC(C(=O)Nc1cccc(NC(=O)C3CCCN3)c1)C2.
What is the InChIKey of 4-fluoro-7-methyl-N-[3-(pyrrolidine-2-carbonylamino)phenyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is YQSVYJAZJYKEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-12-7-8-16(22)15-11-18(26-19(12)15)21(28)25-14-5-2-4-13(10-14)24-20(27)17-6-3-9-23-17/h2,4-5,7-8,10,17-18,23,26H,3,6,9,11H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 4-fluoro-7-methyl-N-[3-(pyrrolidine-2-carbonylamino)phenyl]-2,3-dihydro-1H-indole-2-carboxamide?
4-fluoro-7-methyl-N-[3-(pyrrolidine-2-carbonylamino)phenyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 2.80, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methyl-N-[3-(pyrrolidine-2-carbonylamino)phenyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146395559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).