N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3,5,7-trimethyl-1H-indole-2-carboxamide

C21H23FN2O2 — CID 70728180

IUPACN-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3,5,7-trimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2[nH]c(C(=O)N(CCO)Cc3ccc(F)cc3)c(C)c2c1
InChIInChI=1S/C21H23FN2O2/c1-13-10-14(2)19-18(11-13)15(3)20(23-19)21(26)24(8-9-25)12-16-4-6-17(22)7-5-16/h4-7,10-11,23,25H,8-9,12H2,1-3H3
InChIKeyRVMRMTCSEJCVBV-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.87
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3,5,7-trimethyl-1H-indole-2-carboxamide

N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3,5,7-trimethyl-1H-indole-2-carboxamide (PubChem CID 70728180) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3,5,7-trimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3,5,7-trimethyl-1H-indole-2-carboxamide
PubChem CID70728180
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC NameN-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3,5,7-trimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2[nH]c(C(=O)N(CCO)Cc3ccc(F)cc3)c(C)c2c1
InChIInChI=1S/C21H23FN2O2/c1-13-10-14(2)19-18(11-13)15(3)20(23-19)21(26)24(8-9-25)12-16-4-6-17(22)7-5-16/h4-7,10-11,23,25H,8-9,12H2,1-3H3
InChIKeyRVMRMTCSEJCVBV-UHFFFAOYSA-N
XLogP3.87
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172665801
2-[[(4-fluorophenyl)methyl-propylamino]methyl]-6,8-dimethyl-1H-quinolin-4-one
CID 20931301
N-ethyl-3,5,7-trimethyl-N-[[(2R)-oxan-2-yl]methyl]-1H-indole-2-carboxamide
CID 97114573
methyl 5-[benzyl(2-hydroxyethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 86927526
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 1453837
N-(2-hydroxyethyl)-5-methoxy-3-methyl-N-[(5-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide
CID 77083995
1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethyl-1-[(4-fluorophenyl)methyl]thiourea
CID 1375040
3-(4-fluorophenyl)-N,N-bis(2-hydroxyethyl)propanamide
CID 60682225
N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide
CID 78771211
N,3,5,7-tetramethyl-N-[(1S)-1-pyridin-3-ylpropyl]-1H-indole-2-carboxamide
CID 97113366
2-[2-(4-fluorophenyl)ethyl-(5-methyl-3-phenyl-1H-indole-2-carbonyl)amino]acetic acid
CID 110165419
N-ethyl-5-fluoro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 60706405

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3,5,7-trimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3,5,7-trimethyl-1H-indole-2-carboxamide (CID 70728180) is N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3,5,7-trimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3,5,7-trimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3,5,7-trimethyl-1H-indole-2-carboxamide is Cc1cc(C)c2[nH]c(C(=O)N(CCO)Cc3ccc(F)cc3)c(C)c2c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3,5,7-trimethyl-1H-indole-2-carboxamide?
The InChIKey is RVMRMTCSEJCVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-13-10-14(2)19-18(11-13)15(3)20(23-19)21(26)24(8-9-25)12-16-4-6-17(22)7-5-16/h4-7,10-11,23,25H,8-9,12H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3,5,7-trimethyl-1H-indole-2-carboxamide?
N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3,5,7-trimethyl-1H-indole-2-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3,5,7-trimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 70728180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).