1-[3-chloro-1-(3-fluorophenyl)indol-2-yl]ethylcarbamic acid

C17H14ClFN2O2 — CID 67996836

IUPAC1-[3-chloro-1-(3-fluorophenyl)indol-2-yl]ethylcarbamic acid
SMILESCC(NC(=O)O)c1c(Cl)c2ccccc2n1-c1cccc(F)c1
InChIInChI=1S/C17H14ClFN2O2/c1-10(20-17(22)23)16-15(18)13-7-2-3-8-14(13)21(16)12-6-4-5-11(19)9-12/h2-10,20H,1H3,(H,22,23)
InChIKeyUMHRBCIVSZVKOJ-UHFFFAOYSA-N
MW332.76 g/mol
LogP4.75
Rot. Bonds3

About 1-[3-chloro-1-(3-fluorophenyl)indol-2-yl]ethylcarbamic acid

1-[3-chloro-1-(3-fluorophenyl)indol-2-yl]ethylcarbamic acid (PubChem CID 67996836) has the molecular formula C17H14ClFN2O2 and a molecular weight of 332.76 g/mol. Its IUPAC name is 1-[3-chloro-1-(3-fluorophenyl)indol-2-yl]ethylcarbamic acid.

Molecular Properties

Compound Name1-[3-chloro-1-(3-fluorophenyl)indol-2-yl]ethylcarbamic acid
PubChem CID67996836
Molecular FormulaC17H14ClFN2O2
Molecular Weight332.76 g/mol
Exact Mass332.07
IUPAC Name1-[3-chloro-1-(3-fluorophenyl)indol-2-yl]ethylcarbamic acid
SMILESCC(NC(=O)O)c1c(Cl)c2ccccc2n1-c1cccc(F)c1
InChIInChI=1S/C17H14ClFN2O2/c1-10(20-17(22)23)16-15(18)13-7-2-3-8-14(13)21(16)12-6-4-5-11(19)9-12/h2-10,20H,1H3,(H,22,23)
InChIKeyUMHRBCIVSZVKOJ-UHFFFAOYSA-N
XLogP4.75
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-1-(3-fluorophenyl)indol-2-yl]ethylcarbamic acid?
The IUPAC name of 1-[3-chloro-1-(3-fluorophenyl)indol-2-yl]ethylcarbamic acid (CID 67996836) is 1-[3-chloro-1-(3-fluorophenyl)indol-2-yl]ethylcarbamic acid.
What is the SMILES notation for 1-[3-chloro-1-(3-fluorophenyl)indol-2-yl]ethylcarbamic acid?
The canonical SMILES for 1-[3-chloro-1-(3-fluorophenyl)indol-2-yl]ethylcarbamic acid is CC(NC(=O)O)c1c(Cl)c2ccccc2n1-c1cccc(F)c1.
What is the InChIKey of 1-[3-chloro-1-(3-fluorophenyl)indol-2-yl]ethylcarbamic acid?
The InChIKey is UMHRBCIVSZVKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O2/c1-10(20-17(22)23)16-15(18)13-7-2-3-8-14(13)21(16)12-6-4-5-11(19)9-12/h2-10,20H,1H3,(H,22,23).
What are the key properties of 1-[3-chloro-1-(3-fluorophenyl)indol-2-yl]ethylcarbamic acid?
1-[3-chloro-1-(3-fluorophenyl)indol-2-yl]ethylcarbamic acid has a molecular weight of 332.76 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-1-(3-fluorophenyl)indol-2-yl]ethylcarbamic acid is sourced from PubChem (CID 67996836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).