5-[(4-fluorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide

C23H17F2N3O2 — CID 91634972

IUPAC5-[(4-fluorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
SMILESNC(=O)c1cc2cc(NC(=O)c3ccc(F)cc3)ccc2n1Cc1cccc(F)c1
InChIInChI=1S/C23H17F2N3O2/c24-17-6-4-15(5-7-17)23(30)27-19-8-9-20-16(11-19)12-21(22(26)29)28(20)13-14-2-1-3-18(25)10-14/h1-12H,13H2,(H2,26,29)(H,27,30)
InChIKeyTUTUPWSLNCGSEX-UHFFFAOYSA-N
MW405.40 g/mol
LogP4.32
Rot. Bonds5

About 5-[(4-fluorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide

5-[(4-fluorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide (PubChem CID 91634972) has the molecular formula C23H17F2N3O2 and a molecular weight of 405.40 g/mol. Its IUPAC name is 5-[(4-fluorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
PubChem CID91634972
Molecular FormulaC23H17F2N3O2
Molecular Weight405.40 g/mol
Exact Mass405.13
IUPAC Name5-[(4-fluorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
SMILESNC(=O)c1cc2cc(NC(=O)c3ccc(F)cc3)ccc2n1Cc1cccc(F)c1
InChIInChI=1S/C23H17F2N3O2/c24-17-6-4-15(5-7-17)23(30)27-19-8-9-20-16(11-19)12-21(22(26)29)28(20)13-14-2-1-3-18(25)10-14/h1-12H,13H2,(H2,26,29)(H,27,30)
InChIKeyTUTUPWSLNCGSEX-UHFFFAOYSA-N
XLogP4.32
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-[(3-fluorophenyl)methyl]-N-(1-methylindol-5-yl)indole-2-carboxamide
CID 69130889
1-[(3-fluorophenyl)methyl]-5-methyl-N-(1-methylindol-5-yl)indole-2-carboxamide
CID 69130872
5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxylic acid
CID 57431513
N-[6-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 57431491
5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]indole-2-carboxamide
CID 57431524
5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]indole-2-carboxamide
CID 57431515
5-fluoro-1-[(3-fluorophenyl)methyl]-N-(7-hydroxypyrrolo[2,3-b]pyridin-5-yl)indole-2-carboxamide
CID 66846286
N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-fluorophenyl)methyl]indol-5-yl]propanamide
CID 83282151
4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338140
1-ethyl-5-[(2-fluorobenzoyl)amino]indole-2-carboxamide
CID 83282725
5-fluoro-1-[(3-methylphenyl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)indole-2-carboxamide
CID 66846526
1-[(3-fluorophenyl)methyl]-5-iodoindole-2-carboxylic acid
CID 66850442

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide?
The IUPAC name of 5-[(4-fluorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide (CID 91634972) is 5-[(4-fluorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide?
The canonical SMILES for 5-[(4-fluorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide is NC(=O)c1cc2cc(NC(=O)c3ccc(F)cc3)ccc2n1Cc1cccc(F)c1.
What is the InChIKey of 5-[(4-fluorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide?
The InChIKey is TUTUPWSLNCGSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O2/c24-17-6-4-15(5-7-17)23(30)27-19-8-9-20-16(11-19)12-21(22(26)29)28(20)13-14-2-1-3-18(25)10-14/h1-12H,13H2,(H2,26,29)(H,27,30).
What are the key properties of 5-[(4-fluorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide?
5-[(4-fluorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide has a molecular weight of 405.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide is sourced from PubChem (CID 91634972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).