N'-(3-chloro-4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide

C18H15ClFN3O2 — CID 7585069

IUPACN'-(3-chloro-4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H15ClFN3O2/c19-14-9-12(5-6-15(14)20)23-18(25)17(24)21-8-7-11-10-22-16-4-2-1-3-13(11)16/h1-6,9-10,22H,7-8H2,(H,21,24)(H,23,25)
InChIKeyLMDMFFRCVMONRJ-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.26
Rot. Bonds4

About N'-(3-chloro-4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide

N'-(3-chloro-4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide (PubChem CID 7585069) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
PubChem CID7585069
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC NameN'-(3-chloro-4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H15ClFN3O2/c19-14-9-12(5-6-15(14)20)23-18(25)17(24)21-8-7-11-10-22-16-4-2-1-3-13(11)16/h1-6,9-10,22H,7-8H2,(H,21,24)(H,23,25)
InChIKeyLMDMFFRCVMONRJ-UHFFFAOYSA-N
XLogP3.26
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide (CID 7585069) is N'-(3-chloro-4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide is O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The InChIKey is LMDMFFRCVMONRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c19-14-9-12(5-6-15(14)20)23-18(25)17(24)21-8-7-11-10-22-16-4-2-1-3-13(11)16/h1-6,9-10,22H,7-8H2,(H,21,24)(H,23,25).
What are the key properties of N'-(3-chloro-4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide?
N'-(3-chloro-4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide has a molecular weight of 359.79 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide is sourced from PubChem (CID 7585069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).