1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carboxamide

C20H12ClFN2O3 — CID 100817357

IUPAC1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carboxamide
SMILESNC(=O)c1cn(C(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c2ccccc12
InChIInChI=1S/C20H12ClFN2O3/c21-14-9-11(5-6-15(14)22)17-7-8-18(27-17)20(26)24-10-13(19(23)25)12-3-1-2-4-16(12)24/h1-10H,(H2,23,25)
InChIKeySPHBTINURXZOHC-UHFFFAOYSA-N
MW382.78 g/mol
LogP4.48
Rot. Bonds3

About 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carboxamide

1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carboxamide (PubChem CID 100817357) has the molecular formula C20H12ClFN2O3 and a molecular weight of 382.78 g/mol. Its IUPAC name is 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carboxamide
PubChem CID100817357
Molecular FormulaC20H12ClFN2O3
Molecular Weight382.78 g/mol
Exact Mass382.05
IUPAC Name1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carboxamide
SMILESNC(=O)c1cn(C(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c2ccccc12
InChIInChI=1S/C20H12ClFN2O3/c21-14-9-11(5-6-15(14)22)17-7-8-18(27-17)20(26)24-10-13(19(23)25)12-3-1-2-4-16(12)24/h1-10H,(H2,23,25)
InChIKeySPHBTINURXZOHC-UHFFFAOYSA-N
XLogP4.48
TPSA78.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.78
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carboxamide?
The IUPAC name of 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carboxamide (CID 100817357) is 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carboxamide.
What is the SMILES notation for 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carboxamide?
The canonical SMILES for 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carboxamide is NC(=O)c1cn(C(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c2ccccc12.
What is the InChIKey of 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carboxamide?
The InChIKey is SPHBTINURXZOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClFN2O3/c21-14-9-11(5-6-15(14)22)17-7-8-18(27-17)20(26)24-10-13(19(23)25)12-3-1-2-4-16(12)24/h1-10H,(H2,23,25).
What are the key properties of 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carboxamide?
1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carboxamide has a molecular weight of 382.78 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carboxamide is sourced from PubChem (CID 100817357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).