4-N-ethyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide

C18H18FN3O2 — CID 53160167

IUPAC4-N-ethyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide
SMILESCCNC(=O)c1cccc2c1CCN2C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H18FN3O2/c1-2-20-17(23)15-4-3-5-16-14(15)10-11-22(16)18(24)21-13-8-6-12(19)7-9-13/h3-9H,2,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyKSSWGGGIIAEDKM-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.17
Rot. Bonds3

About 4-N-ethyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide

4-N-ethyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide (PubChem CID 53160167) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 4-N-ethyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-ethyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide
PubChem CID53160167
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name4-N-ethyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide
SMILESCCNC(=O)c1cccc2c1CCN2C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H18FN3O2/c1-2-20-17(23)15-4-3-5-16-14(15)10-11-22(16)18(24)21-13-8-6-12(19)7-9-13/h3-9H,2,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyKSSWGGGIIAEDKM-UHFFFAOYSA-N
XLogP3.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[(2S)-butan-2-yl]-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 95100016
4-N-tert-butyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160112
4-N-butyl-1-N-phenyl-2,3-dihydroindole-1,4-dicarboxamide
CID 53160123
N-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159918
1-N-(4-methylphenyl)-4-N-(2-methylpropyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160081
4-N-[(2S)-butan-2-yl]-1-N-(4-methylphenyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 95100010
1-N-(4-methylphenyl)-4-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydroindole-1,4-dicarboxamide
CID 53160076
1-(4-fluorobenzoyl)-N-methyl-2,3-dihydroindole-4-carboxamide
CID 53160037
1-N-phenyl-4-N-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160126
N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 20943913
N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide
CID 53160054
N-[(2,3-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide
CID 53160055

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide?
The IUPAC name of 4-N-ethyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide (CID 53160167) is 4-N-ethyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide.
What is the SMILES notation for 4-N-ethyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide?
The canonical SMILES for 4-N-ethyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide is CCNC(=O)c1cccc2c1CCN2C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 4-N-ethyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide?
The InChIKey is KSSWGGGIIAEDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-2-20-17(23)15-4-3-5-16-14(15)10-11-22(16)18(24)21-13-8-6-12(19)7-9-13/h3-9H,2,10-11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 4-N-ethyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide?
4-N-ethyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide has a molecular weight of 327.36 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide is sourced from PubChem (CID 53160167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).