N-[(3,5-difluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide

C23H17F3N2O2 — CID 71840611

IUPACN-[(3,5-difluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)c1ccc2c(c1)CC(=O)N2Cc1cccc(F)c1
InChIInChI=1S/C23H17F3N2O2/c24-18-3-1-2-14(6-18)13-28-21-5-4-16(9-17(21)10-22(28)29)23(30)27-12-15-7-19(25)11-20(26)8-15/h1-9,11H,10,12-13H2,(H,27,30)
InChIKeyPTYZBSBWTIEMIG-UHFFFAOYSA-N
MW410.40 g/mol
LogP4.12
Rot. Bonds5

About N-[(3,5-difluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide

N-[(3,5-difluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide (PubChem CID 71840611) has the molecular formula C23H17F3N2O2 and a molecular weight of 410.40 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide
PubChem CID71840611
Molecular FormulaC23H17F3N2O2
Molecular Weight410.40 g/mol
Exact Mass410.12
IUPAC NameN-[(3,5-difluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)c1ccc2c(c1)CC(=O)N2Cc1cccc(F)c1
InChIInChI=1S/C23H17F3N2O2/c24-18-3-1-2-14(6-18)13-28-21-5-4-16(9-17(21)10-22(28)29)23(30)27-12-15-7-19(25)11-20(26)8-15/h1-9,11H,10,12-13H2,(H,27,30)
InChIKeyPTYZBSBWTIEMIG-UHFFFAOYSA-N
XLogP4.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,1-bis[(4-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide
CID 71840635
1-benzyl-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-indole-5-carboxamide
CID 71840648
N-[(3,5-difluorophenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55596850
1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide
CID 71840637
1-benzyl-2-oxo-N-propan-2-yl-3H-indole-5-carboxamide
CID 71840675
1-benzyl-N-cyclopropyl-2-oxo-3H-indole-5-carboxamide
CID 53160635
N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997880
1-benzyl-2-oxo-3H-indole-5-carboxamide
CID 122479775
1-benzyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3H-indole-5-carboxamide
CID 95100034
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 28970018
1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)ethyl]-2-oxo-3H-indole-5-carboxamide
CID 71840624
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(3-fluorophenyl)methyl]benzamide
CID 53279655

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide (CID 71840611) is N-[(3,5-difluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide is O=C(NCc1cc(F)cc(F)c1)c1ccc2c(c1)CC(=O)N2Cc1cccc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide?
The InChIKey is PTYZBSBWTIEMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O2/c24-18-3-1-2-14(6-18)13-28-21-5-4-16(9-17(21)10-22(28)29)23(30)27-12-15-7-19(25)11-20(26)8-15/h1-9,11H,10,12-13H2,(H,27,30).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide?
N-[(3,5-difluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide has a molecular weight of 410.40 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide is sourced from PubChem (CID 71840611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).