6-chloro-3-[[3-(3-fluorophenyl)-3-oxopropyl]amino]-1H-indole-2-carboxylic acid

C18H14ClFN2O3 — CID 57219484

IUPAC6-chloro-3-[[3-(3-fluorophenyl)-3-oxopropyl]amino]-1H-indole-2-carboxylic acid
SMILESO=C(CCNc1c(C(=O)O)[nH]c2cc(Cl)ccc12)c1cccc(F)c1
InChIInChI=1S/C18H14ClFN2O3/c19-11-4-5-13-14(9-11)22-17(18(24)25)16(13)21-7-6-15(23)10-2-1-3-12(20)8-10/h1-5,8-9,21-22H,6-7H2,(H,24,25)
InChIKeyAMSXOHPQQFPPQU-UHFFFAOYSA-N
MW360.77 g/mol
LogP4.34
Rot. Bonds6

About 6-chloro-3-[[3-(3-fluorophenyl)-3-oxopropyl]amino]-1H-indole-2-carboxylic acid

6-chloro-3-[[3-(3-fluorophenyl)-3-oxopropyl]amino]-1H-indole-2-carboxylic acid (PubChem CID 57219484) has the molecular formula C18H14ClFN2O3 and a molecular weight of 360.77 g/mol. Its IUPAC name is 6-chloro-3-[[3-(3-fluorophenyl)-3-oxopropyl]amino]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-3-[[3-(3-fluorophenyl)-3-oxopropyl]amino]-1H-indole-2-carboxylic acid
PubChem CID57219484
Molecular FormulaC18H14ClFN2O3
Molecular Weight360.77 g/mol
Exact Mass360.07
IUPAC Name6-chloro-3-[[3-(3-fluorophenyl)-3-oxopropyl]amino]-1H-indole-2-carboxylic acid
SMILESO=C(CCNc1c(C(=O)O)[nH]c2cc(Cl)ccc12)c1cccc(F)c1
InChIInChI=1S/C18H14ClFN2O3/c19-11-4-5-13-14(9-11)22-17(18(24)25)16(13)21-7-6-15(23)10-2-1-3-12(20)8-10/h1-5,8-9,21-22H,6-7H2,(H,24,25)
InChIKeyAMSXOHPQQFPPQU-UHFFFAOYSA-N
XLogP4.34
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[3-(3-fluorophenyl)-3-oxopropyl]amino]-1H-indole-2-carboxylic acid?
The IUPAC name of 6-chloro-3-[[3-(3-fluorophenyl)-3-oxopropyl]amino]-1H-indole-2-carboxylic acid (CID 57219484) is 6-chloro-3-[[3-(3-fluorophenyl)-3-oxopropyl]amino]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-chloro-3-[[3-(3-fluorophenyl)-3-oxopropyl]amino]-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-chloro-3-[[3-(3-fluorophenyl)-3-oxopropyl]amino]-1H-indole-2-carboxylic acid is O=C(CCNc1c(C(=O)O)[nH]c2cc(Cl)ccc12)c1cccc(F)c1.
What is the InChIKey of 6-chloro-3-[[3-(3-fluorophenyl)-3-oxopropyl]amino]-1H-indole-2-carboxylic acid?
The InChIKey is AMSXOHPQQFPPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3/c19-11-4-5-13-14(9-11)22-17(18(24)25)16(13)21-7-6-15(23)10-2-1-3-12(20)8-10/h1-5,8-9,21-22H,6-7H2,(H,24,25).
What are the key properties of 6-chloro-3-[[3-(3-fluorophenyl)-3-oxopropyl]amino]-1H-indole-2-carboxylic acid?
6-chloro-3-[[3-(3-fluorophenyl)-3-oxopropyl]amino]-1H-indole-2-carboxylic acid has a molecular weight of 360.77 g/mol, XLogP of 4.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[3-(3-fluorophenyl)-3-oxopropyl]amino]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 57219484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).