N-cyclopropyl-6-ethoxy-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide

C21H21FN2O2 — CID 55829589

IUPACN-cyclopropyl-6-ethoxy-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide
SMILESCCOc1ccc2cc(C(=O)N(Cc3cccc(F)c3)C3CC3)[nH]c2c1
InChIInChI=1S/C21H21FN2O2/c1-2-26-18-9-6-15-11-20(23-19(15)12-18)21(25)24(17-7-8-17)13-14-4-3-5-16(22)10-14/h3-6,9-12,17,23H,2,7-8,13H2,1H3
InChIKeyNFASIGYHEILQBS-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.51
Rot. Bonds6

About N-cyclopropyl-6-ethoxy-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide

N-cyclopropyl-6-ethoxy-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 55829589) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is N-cyclopropyl-6-ethoxy-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-ethoxy-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide
PubChem CID55829589
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC NameN-cyclopropyl-6-ethoxy-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide
SMILESCCOc1ccc2cc(C(=O)N(Cc3cccc(F)c3)C3CC3)[nH]c2c1
InChIInChI=1S/C21H21FN2O2/c1-2-26-18-9-6-15-11-20(23-19(15)12-18)21(25)24(17-7-8-17)13-14-4-3-5-16(22)10-14/h3-6,9-12,17,23H,2,7-8,13H2,1H3
InChIKeyNFASIGYHEILQBS-UHFFFAOYSA-N
XLogP4.51
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-6-ethoxy-1H-indole-2-carboxamide
CID 55830001
N-cyclopropyl-6-methoxy-N-[(1-methylpyrrol-2-yl)methyl]-1H-indole-2-carboxamide
CID 91624510
N-ethyl-N-[(1S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135171023
N-ethyl-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 51190000
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-oxobutanamide
CID 54876800
N-cyclopropyl-3-(ethylamino)-N-[(3-fluorophenyl)methyl]butanamide
CID 62838324
N-(1,1-dioxothiolan-3-yl)-5-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 17014447
3-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-oxopropanoic acid
CID 55049064
2-bromo-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-4-carboxamide
CID 103754314
4-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 81228554
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55761477
N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-4-methylpyridine-3-carboxamide
CID 46998435

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-ethoxy-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-cyclopropyl-6-ethoxy-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide (CID 55829589) is N-cyclopropyl-6-ethoxy-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-ethoxy-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-6-ethoxy-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide is CCOc1ccc2cc(C(=O)N(Cc3cccc(F)c3)C3CC3)[nH]c2c1.
What is the InChIKey of N-cyclopropyl-6-ethoxy-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is NFASIGYHEILQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-2-26-18-9-6-15-11-20(23-19(15)12-18)21(25)24(17-7-8-17)13-14-4-3-5-16(22)10-14/h3-6,9-12,17,23H,2,7-8,13H2,1H3.
What are the key properties of N-cyclopropyl-6-ethoxy-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide?
N-cyclopropyl-6-ethoxy-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-ethoxy-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55829589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).