4-N-[(2S)-butan-2-yl]-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide

C20H22FN3O2 — CID 95100016

IUPAC4-N-[(2S)-butan-2-yl]-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide
SMILESCC[C@H](C)NC(=O)c1cccc2c1CCN2C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H22FN3O2/c1-3-13(2)22-19(25)17-5-4-6-18-16(17)11-12-24(18)20(26)23-15-9-7-14(21)8-10-15/h4-10,13H,3,11-12H2,1-2H3,(H,22,25)(H,23,26)/t13-/m0/s1
InChIKeyUZVXRKPFYZSMJG-ZDUSSCGKSA-N
MW355.41 g/mol
LogP3.95
Rot. Bonds4

About 4-N-[(2S)-butan-2-yl]-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide

4-N-[(2S)-butan-2-yl]-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide (PubChem CID 95100016) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 4-N-[(2S)-butan-2-yl]-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2S)-butan-2-yl]-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide
PubChem CID95100016
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name4-N-[(2S)-butan-2-yl]-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide
SMILESCC[C@H](C)NC(=O)c1cccc2c1CCN2C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H22FN3O2/c1-3-13(2)22-19(25)17-5-4-6-18-16(17)11-12-24(18)20(26)23-15-9-7-14(21)8-10-15/h4-10,13H,3,11-12H2,1-2H3,(H,22,25)(H,23,26)/t13-/m0/s1
InChIKeyUZVXRKPFYZSMJG-ZDUSSCGKSA-N
XLogP3.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[(2S)-butan-2-yl]-1-N-(4-methylphenyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 95100010
4-N-ethyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160167
4-N-tert-butyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160112
1-N-(4-methylphenyl)-4-N-(2-methylpropyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160081
4-N-butyl-1-N-phenyl-2,3-dihydroindole-1,4-dicarboxamide
CID 53160123
1-N-(4-methoxyphenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53200908
N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2943228
1-(4-fluorobenzoyl)-N-methyl-2,3-dihydroindole-4-carboxamide
CID 53160037
1-N-(4-methylphenyl)-4-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydroindole-1,4-dicarboxamide
CID 53160076
N-[(2R)-butan-2-yl]-2-[(3-fluorobenzoyl)amino]benzamide
CID 26706214
N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127073
4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-N-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 93072588

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2S)-butan-2-yl]-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide?
The IUPAC name of 4-N-[(2S)-butan-2-yl]-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide (CID 95100016) is 4-N-[(2S)-butan-2-yl]-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2S)-butan-2-yl]-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(2S)-butan-2-yl]-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide is CC[C@H](C)NC(=O)c1cccc2c1CCN2C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 4-N-[(2S)-butan-2-yl]-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide?
The InChIKey is UZVXRKPFYZSMJG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-3-13(2)22-19(25)17-5-4-6-18-16(17)11-12-24(18)20(26)23-15-9-7-14(21)8-10-15/h4-10,13H,3,11-12H2,1-2H3,(H,22,25)(H,23,26)/t13-/m0/s1.
What are the key properties of 4-N-[(2S)-butan-2-yl]-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide?
4-N-[(2S)-butan-2-yl]-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide has a molecular weight of 355.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2S)-butan-2-yl]-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide is sourced from PubChem (CID 95100016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).