4-chloro-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide

C19H18ClFN2O2 — CID 121393273

IUPAC4-chloro-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide
SMILESCOCCn1cc(C(=O)NCc2ccccc2F)c2c(Cl)cccc21
InChIInChI=1S/C19H18ClFN2O2/c1-25-10-9-23-12-14(18-15(20)6-4-8-17(18)23)19(24)22-11-13-5-2-3-7-16(13)21/h2-8,12H,9-11H2,1H3,(H,22,24)
InChIKeyUBGRARXWFCNOSB-UHFFFAOYSA-N
MW360.82 g/mol
LogP4.01
Rot. Bonds6

About 4-chloro-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide

4-chloro-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide (PubChem CID 121393273) has the molecular formula C19H18ClFN2O2 and a molecular weight of 360.82 g/mol. Its IUPAC name is 4-chloro-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide
PubChem CID121393273
Molecular FormulaC19H18ClFN2O2
Molecular Weight360.82 g/mol
Exact Mass360.10
IUPAC Name4-chloro-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide
SMILESCOCCn1cc(C(=O)NCc2ccccc2F)c2c(Cl)cccc21
InChIInChI=1S/C19H18ClFN2O2/c1-25-10-9-23-12-14(18-15(20)6-4-8-17(18)23)19(24)22-11-13-5-2-3-7-16(13)21/h2-8,12H,9-11H2,1H3,(H,22,24)
InChIKeyUBGRARXWFCNOSB-UHFFFAOYSA-N
XLogP4.01
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide?
The IUPAC name of 4-chloro-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide (CID 121393273) is 4-chloro-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide is COCCn1cc(C(=O)NCc2ccccc2F)c2c(Cl)cccc21.
What is the InChIKey of 4-chloro-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide?
The InChIKey is UBGRARXWFCNOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O2/c1-25-10-9-23-12-14(18-15(20)6-4-8-17(18)23)19(24)22-11-13-5-2-3-7-16(13)21/h2-8,12H,9-11H2,1H3,(H,22,24).
What are the key properties of 4-chloro-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide?
4-chloro-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide has a molecular weight of 360.82 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide is sourced from PubChem (CID 121393273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).