N-[(2,5-difluorophenyl)methyl]-1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxamide

C22H18F2N2O3 — CID 24804123

IUPACN-[(2,5-difluorophenyl)methyl]-1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxamide
SMILESCc1c(C(=O)NCc2cc(F)ccc2F)c2cc(O)ccc2n1Cc1ccco1
InChIInChI=1S/C22H18F2N2O3/c1-13-21(22(28)25-11-14-9-15(23)4-6-19(14)24)18-10-16(27)5-7-20(18)26(13)12-17-3-2-8-29-17/h2-10,27H,11-12H2,1H3,(H,25,28)
InChIKeyLVXHYVOCPOPRPZ-UHFFFAOYSA-N
MW396.39 g/mol
LogP4.50
Rot. Bonds5

About N-[(2,5-difluorophenyl)methyl]-1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxamide

N-[(2,5-difluorophenyl)methyl]-1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxamide (PubChem CID 24804123) has the molecular formula C22H18F2N2O3 and a molecular weight of 396.39 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxamide
PubChem CID24804123
Molecular FormulaC22H18F2N2O3
Molecular Weight396.39 g/mol
Exact Mass396.13
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxamide
SMILESCc1c(C(=O)NCc2cc(F)ccc2F)c2cc(O)ccc2n1Cc1ccco1
InChIInChI=1S/C22H18F2N2O3/c1-13-21(22(28)25-11-14-9-15(23)4-6-19(14)24)18-10-16(27)5-7-20(18)26(13)12-17-3-2-8-29-17/h2-10,27H,11-12H2,1H3,(H,25,28)
InChIKeyLVXHYVOCPOPRPZ-UHFFFAOYSA-N
XLogP4.50
TPSA67.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxamide (CID 24804123) is N-[(2,5-difluorophenyl)methyl]-1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxamide is Cc1c(C(=O)NCc2cc(F)ccc2F)c2cc(O)ccc2n1Cc1ccco1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxamide?
The InChIKey is LVXHYVOCPOPRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O3/c1-13-21(22(28)25-11-14-9-15(23)4-6-19(14)24)18-10-16(27)5-7-20(18)26(13)12-17-3-2-8-29-17/h2-10,27H,11-12H2,1H3,(H,25,28).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxamide?
N-[(2,5-difluorophenyl)methyl]-1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxamide has a molecular weight of 396.39 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxamide is sourced from PubChem (CID 24804123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).