5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide

C18H17FN2O3 — CID 46433700

IUPAC5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1
InChIInChI=1S/C18H17FN2O3/c1-23-8-9-24-15-5-3-14(4-6-15)20-18(22)17-11-12-10-13(19)2-7-16(12)21-17/h2-7,10-11,21H,8-9H2,1H3,(H,20,22)
InChIKeyPMZDUVJAFAHRPQ-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.58
Rot. Bonds6

About 5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide

5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide (PubChem CID 46433700) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide
PubChem CID46433700
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1
InChIInChI=1S/C18H17FN2O3/c1-23-8-9-24-15-5-3-14(4-6-15)20-18(22)17-11-12-10-13(19)2-7-16(12)21-17/h2-7,10-11,21H,8-9H2,1H3,(H,20,22)
InChIKeyPMZDUVJAFAHRPQ-UHFFFAOYSA-N
XLogP3.58
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515778
5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide
CID 58408911
5-fluoro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
CID 21014433
N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46557885
N'-(4-ethoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide
CID 134034269
5-fluoro-N-[4-[2-(4-methoxyanilino)pyrimidin-4-yl]phenyl]-1H-indole-2-carboxamide
CID 44525485
4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide
CID 17386974
2,4-difluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 17178097
4-ethoxy-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide
CID 46334542
5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 62058585
5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 11067605
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide (CID 46433700) is 5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide is COCCOc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1.
What is the InChIKey of 5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide?
The InChIKey is PMZDUVJAFAHRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-23-8-9-24-15-5-3-14(4-6-15)20-18(22)17-11-12-10-13(19)2-7-16(12)21-17/h2-7,10-11,21H,8-9H2,1H3,(H,20,22).
What are the key properties of 5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide?
5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide has a molecular weight of 328.34 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 46433700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).