N-[2-(2,4-difluorophenyl)cyclopropyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C19H18F2N2O2 — CID 127264725

IUPACN-[2-(2,4-difluorophenyl)cyclopropyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)NC2CC2c2ccc(F)cc2F)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C19H18F2N2O2/c1-9-17-14(3-2-4-16(17)24)22-18(9)19(25)23-15-8-12(15)11-6-5-10(20)7-13(11)21/h5-7,12,15,22H,2-4,8H2,1H3,(H,23,25)
InChIKeyFGSYODZOMUSIIT-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.41
Rot. Bonds3

About N-[2-(2,4-difluorophenyl)cyclopropyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-[2-(2,4-difluorophenyl)cyclopropyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 127264725) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)cyclopropyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)cyclopropyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID127264725
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC NameN-[2-(2,4-difluorophenyl)cyclopropyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)NC2CC2c2ccc(F)cc2F)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C19H18F2N2O2/c1-9-17-14(3-2-4-16(17)24)22-18(9)19(25)23-15-8-12(15)11-6-5-10(20)7-13(11)21/h5-7,12,15,22H,2-4,8H2,1H3,(H,23,25)
InChIKeyFGSYODZOMUSIIT-UHFFFAOYSA-N
XLogP3.41
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)cyclopropyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)cyclopropyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 127264725) is N-[2-(2,4-difluorophenyl)cyclopropyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)cyclopropyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)cyclopropyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1c(C(=O)NC2CC2c2ccc(F)cc2F)[nH]c2c1C(=O)CCC2.
What is the InChIKey of N-[2-(2,4-difluorophenyl)cyclopropyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is FGSYODZOMUSIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-9-17-14(3-2-4-16(17)24)22-18(9)19(25)23-15-8-12(15)11-6-5-10(20)7-13(11)21/h5-7,12,15,22H,2-4,8H2,1H3,(H,23,25).
What are the key properties of N-[2-(2,4-difluorophenyl)cyclopropyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-[2-(2,4-difluorophenyl)cyclopropyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 344.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)cyclopropyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 127264725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).