N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C19H21FN2O3 — CID 31793322

IUPACN-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)N(C)CCOc2ccc(F)cc2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C19H21FN2O3/c1-12-17-15(4-3-5-16(17)23)21-18(12)19(24)22(2)10-11-25-14-8-6-13(20)7-9-14/h6-9,21H,3-5,10-11H2,1-2H3
InChIKeyBUJNYKZMFYWXMA-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.13
Rot. Bonds5

About N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 31793322) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID31793322
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)N(C)CCOc2ccc(F)cc2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C19H21FN2O3/c1-12-17-15(4-3-5-16(17)23)21-18(12)19(24)22(2)10-11-25-14-8-6-13(20)7-9-14/h6-9,21H,3-5,10-11H2,1-2H3
InChIKeyBUJNYKZMFYWXMA-UHFFFAOYSA-N
XLogP3.13
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,3-dimethyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 55955402
2-[2-methoxyethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid
CID 119189193
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 47006858
2-[ethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid
CID 119206034
(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 54995498
2-(azetidin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 116676225
6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 115497073
1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464033
3-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 55720483
N-[2-(4-fluorophenoxy)ethyl]-N,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 31793558
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 103831117
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 60711684

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 31793322) is N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1c(C(=O)N(C)CCOc2ccc(F)cc2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is BUJNYKZMFYWXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-12-17-15(4-3-5-16(17)23)21-18(12)19(24)22(2)10-11-25-14-8-6-13(20)7-9-14/h6-9,21H,3-5,10-11H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 31793322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).