N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-fluorobenzamide

C19H16FN3O2 — CID 58694191

IUPACN-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-fluorobenzamide
SMILESCCn1c(NC(=O)c2cccc(F)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C19H16FN3O2/c1-3-23-17-10-14(25-2)7-8-15(17)16(11-21)18(23)22-19(24)12-5-4-6-13(20)9-12/h4-10H,3H2,1-2H3,(H,22,24)
InChIKeyNBJLDAUZQYWBOI-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.93
Rot. Bonds4

About N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-fluorobenzamide

N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-fluorobenzamide (PubChem CID 58694191) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-fluorobenzamide
PubChem CID58694191
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC NameN-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-fluorobenzamide
SMILESCCn1c(NC(=O)c2cccc(F)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C19H16FN3O2/c1-3-23-17-10-14(25-2)7-8-15(17)16(11-21)18(23)22-19(24)12-5-4-6-13(20)9-12/h4-10H,3H2,1-2H3,(H,22,24)
InChIKeyNBJLDAUZQYWBOI-UHFFFAOYSA-N
XLogP3.93
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-6-methoxy-1-methylindol-2-yl)-3-methylbenzamide;ethane
CID 143184231
(2-benzamido-3-cyano-1-ethylindol-6-yl)-oxoazanium
CID 143184287
4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide
CID 58694488
propyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694159
2-amino-1-ethyl-6-methoxyindole-3-carbonitrile
CID 90970598
ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 59424974
phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694220
N-(2-amino-5-methoxyphenyl)-3-fluorobenzamide
CID 63258141
2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]acetic acid
CID 59425469
1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea
CID 25049866
N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide
CID 58693969
1-(2-chloroethyl)-3-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea
CID 58694440

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-fluorobenzamide?
The IUPAC name of N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-fluorobenzamide (CID 58694191) is N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-fluorobenzamide?
The canonical SMILES for N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-fluorobenzamide is CCn1c(NC(=O)c2cccc(F)c2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-fluorobenzamide?
The InChIKey is NBJLDAUZQYWBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-3-23-17-10-14(25-2)7-8-15(17)16(11-21)18(23)22-19(24)12-5-4-6-13(20)9-12/h4-10H,3H2,1-2H3,(H,22,24).
What are the key properties of N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-fluorobenzamide?
N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-fluorobenzamide has a molecular weight of 337.35 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-fluorobenzamide is sourced from PubChem (CID 58694191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).