4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]-N-(oxan-4-yl)indole-3-carboxamide;1H-indole-3-carboxamide

C32H32FN5O4 — CID 158014533

IUPAC4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]-N-(oxan-4-yl)indole-3-carboxamide;1H-indole-3-carboxamide
SMILESCNC(=O)c1ccc(Cn2cc(C(=O)NC3CCOCC3)c3c(F)cccc32)cc1.NC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C23H24FN3O3.C9H8N2O/c1-25-22(28)16-7-5-15(6-8-16)13-27-14-18(21-19(24)3-2-4-20(21)27)23(29)26-17-9-11-30-12-10-17;10-9(12)7-5-11-8-4-2-1-3-6(7)8/h2-8,14,17H,9-13H2,1H3,(H,25,28)(H,26,29);1-5,11H,(H2,10,12)
InChIKeyFFHJTEMDEGGVLC-UHFFFAOYSA-N
MW569.64 g/mol
LogP4.36
Rot. Bonds6

About 4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]-N-(oxan-4-yl)indole-3-carboxamide;1H-indole-3-carboxamide

4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]-N-(oxan-4-yl)indole-3-carboxamide;1H-indole-3-carboxamide (PubChem CID 158014533) has the molecular formula C32H32FN5O4 and a molecular weight of 569.64 g/mol. Its IUPAC name is 4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]-N-(oxan-4-yl)indole-3-carboxamide;1H-indole-3-carboxamide.

Molecular Properties

Compound Name4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]-N-(oxan-4-yl)indole-3-carboxamide;1H-indole-3-carboxamide
PubChem CID158014533
Molecular FormulaC32H32FN5O4
Molecular Weight569.64 g/mol
Exact Mass569.24
IUPAC Name4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]-N-(oxan-4-yl)indole-3-carboxamide;1H-indole-3-carboxamide
SMILESCNC(=O)c1ccc(Cn2cc(C(=O)NC3CCOCC3)c3c(F)cccc32)cc1.NC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C23H24FN3O3.C9H8N2O/c1-25-22(28)16-7-5-15(6-8-16)13-27-14-18(21-19(24)3-2-4-20(21)27)23(29)26-17-9-11-30-12-10-17;10-9(12)7-5-11-8-4-2-1-3-6(7)8/h2-8,14,17H,9-13H2,1H3,(H,25,28)(H,26,29);1-5,11H,(H2,10,12)
InChIKeyFFHJTEMDEGGVLC-UHFFFAOYSA-N
XLogP4.36
TPSA131.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.64
LogP ≤ 54.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]-N-(oxan-4-yl)indole-3-carboxamide;1H-indole-3-carboxamide with MolForge

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Related Compounds

1-[(4-carbamoylphenyl)methyl]-4-fluoro-N-(oxan-4-yl)indole-3-carboxamide
CID 123766771
N-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide
CID 121482780
4-fluoro-N-(oxan-4-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]indole-3-carboxamide
CID 144813109
1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide
CID 123211573
N-cycloheptyl-4-fluoro-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide
CID 159266559
4-fluoro-N-methyl-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide
CID 158714807
4-fluoro-1-[(4-fluorophenyl)methyl]-N-(3-fluoropiperidin-4-yl)indole-3-carboxamide;hydrochloride
CID 126674071
N-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 123838231
N-cyclohexyl-4-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole-3-carboxamide
CID 144813115
4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 140797941
acetamide;4,7-difluoro-1-[(1-methylindazol-5-yl)methyl]-N-(oxan-4-yl)indole-3-carboxamide
CID 159791566
4-fluoro-N-(3-fluoropiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]indole-3-carboxamide;hydrochloride
CID 135312927

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]-N-(oxan-4-yl)indole-3-carboxamide;1H-indole-3-carboxamide?
The IUPAC name of 4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]-N-(oxan-4-yl)indole-3-carboxamide;1H-indole-3-carboxamide (CID 158014533) is 4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]-N-(oxan-4-yl)indole-3-carboxamide;1H-indole-3-carboxamide.
What is the SMILES notation for 4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]-N-(oxan-4-yl)indole-3-carboxamide;1H-indole-3-carboxamide?
The canonical SMILES for 4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]-N-(oxan-4-yl)indole-3-carboxamide;1H-indole-3-carboxamide is CNC(=O)c1ccc(Cn2cc(C(=O)NC3CCOCC3)c3c(F)cccc32)cc1.NC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]-N-(oxan-4-yl)indole-3-carboxamide;1H-indole-3-carboxamide?
The InChIKey is FFHJTEMDEGGVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3.C9H8N2O/c1-25-22(28)16-7-5-15(6-8-16)13-27-14-18(21-19(24)3-2-4-20(21)27)23(29)26-17-9-11-30-12-10-17;10-9(12)7-5-11-8-4-2-1-3-6(7)8/h2-8,14,17H,9-13H2,1H3,(H,25,28)(H,26,29);1-5,11H,(H2,10,12).
What are the key properties of 4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]-N-(oxan-4-yl)indole-3-carboxamide;1H-indole-3-carboxamide?
4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]-N-(oxan-4-yl)indole-3-carboxamide;1H-indole-3-carboxamide has a molecular weight of 569.64 g/mol, XLogP of 4.36, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]-N-(oxan-4-yl)indole-3-carboxamide;1H-indole-3-carboxamide is sourced from PubChem (CID 158014533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).