N-[1-(4-fluorophenyl)ethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-5-carboxamide

C29H29FN4O3 — CID 123504802

IUPACN-[1-(4-fluorophenyl)ethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)C(/C=N/c1cccc(CN3CCOCC3)c1)C(=O)N2)c1ccc(F)cc1
InChIInChI=1S/C29H29FN4O3/c1-19(21-5-8-23(30)9-6-21)32-28(35)22-7-10-27-25(16-22)26(29(36)33-27)17-31-24-4-2-3-20(15-24)18-34-11-13-37-14-12-34/h2-10,15-17,19,26H,11-14,18H2,1H3,(H,32,35)(H,33,36)/b31-17+
InChIKeyMQZNBTIGTORYCE-KBVAKVRCSA-N
MW500.57 g/mol
LogP4.59
Rot. Bonds7

About N-[1-(4-fluorophenyl)ethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-5-carboxamide

N-[1-(4-fluorophenyl)ethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 123504802) has the molecular formula C29H29FN4O3 and a molecular weight of 500.57 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID123504802
Molecular FormulaC29H29FN4O3
Molecular Weight500.57 g/mol
Exact Mass500.22
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)C(/C=N/c1cccc(CN3CCOCC3)c1)C(=O)N2)c1ccc(F)cc1
InChIInChI=1S/C29H29FN4O3/c1-19(21-5-8-23(30)9-6-21)32-28(35)22-7-10-27-25(16-22)26(29(36)33-27)17-31-24-4-2-3-20(15-24)18-34-11-13-37-14-12-34/h2-10,15-17,19,26H,11-14,18H2,1H3,(H,32,35)(H,33,36)/b31-17+
InChIKeyMQZNBTIGTORYCE-KBVAKVRCSA-N
XLogP4.59
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.57
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-methyl-3-(4'-morpholin-4-yl-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-yl)benzamide
CID 44250545
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-1-propan-2-yl-2,3-dihydroindole-4-carboxamide
CID 134134857
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroindole-4-carboxamide
CID 134139550
5-fluoro-N-[4-[(4-morpholin-4-ylphenyl)methylcarbamoyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57510700
N-{[1-(4-Fluorobenzoyl)-2,3-dihydro-1H-indol-5-YL]methyl}-2-phenylbutanamide
CID 16033195
3-Acetamido-N-{[1-(4-fluorobenzoyl)-2,3-dihydro-1H-indol-5-YL]methyl}benzamide
CID 16033235
5-(morpholin-4-ylmethyl)-N-[4-(1-oxo-4H-isoquinolin-4-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 76551393
2,6-difluoro-N-(2-(1-methylindolin-5-yl)-2-morpholinoethyl)benzamide
CID 44024530
1-[(3-Fluorophenyl)methyl]-N-[2-(morpholin-4-YL)ethyl]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide
CID 71840613
1-Benzyl-N-[1-(4-fluorophenyl)ethyl]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide
CID 71840648
1'-(2-methoxyethyl)-2-oxo-N-propan-2-ylspiro[1H-indole-3,4'-piperidine]-5-carboxamide
CID 97400149
1'-(2-methoxyethyl)-N-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxamide
CID 118743246

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-5-carboxamide (CID 123504802) is N-[1-(4-fluorophenyl)ethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-5-carboxamide is CC(NC(=O)c1ccc2c(c1)C(/C=N/c1cccc(CN3CCOCC3)c1)C(=O)N2)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is MQZNBTIGTORYCE-KBVAKVRCSA-N. The full InChI is InChI=1S/C29H29FN4O3/c1-19(21-5-8-23(30)9-6-21)32-28(35)22-7-10-27-25(16-22)26(29(36)33-27)17-31-24-4-2-3-20(15-24)18-34-11-13-37-14-12-34/h2-10,15-17,19,26H,11-14,18H2,1H3,(H,32,35)(H,33,36)/b31-17+.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 500.57 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 123504802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).