1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)ethyl]-2-oxo-3H-indole-5-carboxamide

C25H23FN2O3 — CID 71840624

IUPAC1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)ethyl]-2-oxo-3H-indole-5-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc3c(c2)CC(=O)N3Cc2ccc(F)cc2)cc1
InChIInChI=1S/C25H23FN2O3/c1-16(18-5-10-22(31-2)11-6-18)27-25(30)19-7-12-23-20(13-19)14-24(29)28(23)15-17-3-8-21(26)9-4-17/h3-13,16H,14-15H2,1-2H3,(H,27,30)
InChIKeyDAMDKOYOFNHUCV-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.41
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)ethyl]-2-oxo-3H-indole-5-carboxamide

1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)ethyl]-2-oxo-3H-indole-5-carboxamide (PubChem CID 71840624) has the molecular formula C25H23FN2O3 and a molecular weight of 418.47 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)ethyl]-2-oxo-3H-indole-5-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)ethyl]-2-oxo-3H-indole-5-carboxamide
PubChem CID71840624
Molecular FormulaC25H23FN2O3
Molecular Weight418.47 g/mol
Exact Mass418.17
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)ethyl]-2-oxo-3H-indole-5-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc3c(c2)CC(=O)N3Cc2ccc(F)cc2)cc1
InChIInChI=1S/C25H23FN2O3/c1-16(18-5-10-22(31-2)11-6-18)27-25(30)19-7-12-23-20(13-19)14-24(29)28(23)15-17-3-8-21(26)9-4-17/h3-13,16H,14-15H2,1-2H3,(H,27,30)
InChIKeyDAMDKOYOFNHUCV-UHFFFAOYSA-N
XLogP4.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-indole-5-carboxamide
CID 71840648
N,1-bis[(4-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide
CID 71840635
1-benzyl-2-oxo-N-propan-2-yl-3H-indole-5-carboxamide
CID 71840675
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
N-[1-(4-methoxyphenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 53281706
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 2713156
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide
CID 71840637
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94012016
N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 17435884
5-(4-chlorophenoxy)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one
CID 142720889
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 43916498

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)ethyl]-2-oxo-3H-indole-5-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)ethyl]-2-oxo-3H-indole-5-carboxamide (CID 71840624) is 1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)ethyl]-2-oxo-3H-indole-5-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)ethyl]-2-oxo-3H-indole-5-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)ethyl]-2-oxo-3H-indole-5-carboxamide is COc1ccc(C(C)NC(=O)c2ccc3c(c2)CC(=O)N3Cc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)ethyl]-2-oxo-3H-indole-5-carboxamide?
The InChIKey is DAMDKOYOFNHUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O3/c1-16(18-5-10-22(31-2)11-6-18)27-25(30)19-7-12-23-20(13-19)14-24(29)28(23)15-17-3-8-21(26)9-4-17/h3-13,16H,14-15H2,1-2H3,(H,27,30).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)ethyl]-2-oxo-3H-indole-5-carboxamide?
1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)ethyl]-2-oxo-3H-indole-5-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)ethyl]-2-oxo-3H-indole-5-carboxamide is sourced from PubChem (CID 71840624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).