2-[1-[(3-fluorophenyl)methyl]indol-4-yl]oxyethyl-methylcarbamic acid

C19H19FN2O3 — CID 150012015

IUPAC2-[1-[(3-fluorophenyl)methyl]indol-4-yl]oxyethyl-methylcarbamic acid
SMILESCN(CCOc1cccc2c1ccn2Cc1cccc(F)c1)C(=O)O
InChIInChI=1S/C19H19FN2O3/c1-21(19(23)24)10-11-25-18-7-3-6-17-16(18)8-9-22(17)13-14-4-2-5-15(20)12-14/h2-9,12H,10-11,13H2,1H3,(H,23,24)
InChIKeyDDLZXDNCIGSEIF-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.82
Rot. Bonds6

About 2-[1-[(3-fluorophenyl)methyl]indol-4-yl]oxyethyl-methylcarbamic acid

2-[1-[(3-fluorophenyl)methyl]indol-4-yl]oxyethyl-methylcarbamic acid (PubChem CID 150012015) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-[1-[(3-fluorophenyl)methyl]indol-4-yl]oxyethyl-methylcarbamic acid.

Molecular Properties

Compound Name2-[1-[(3-fluorophenyl)methyl]indol-4-yl]oxyethyl-methylcarbamic acid
PubChem CID150012015
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name2-[1-[(3-fluorophenyl)methyl]indol-4-yl]oxyethyl-methylcarbamic acid
SMILESCN(CCOc1cccc2c1ccn2Cc1cccc(F)c1)C(=O)O
InChIInChI=1S/C19H19FN2O3/c1-21(19(23)24)10-11-25-18-7-3-6-17-16(18)8-9-22(17)13-14-4-2-5-15(20)12-14/h2-9,12H,10-11,13H2,1H3,(H,23,24)
InChIKeyDDLZXDNCIGSEIF-UHFFFAOYSA-N
XLogP3.82
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluorophenyl)methyl]indol-4-yl]oxyethyl-methylcarbamic acid?
The IUPAC name of 2-[1-[(3-fluorophenyl)methyl]indol-4-yl]oxyethyl-methylcarbamic acid (CID 150012015) is 2-[1-[(3-fluorophenyl)methyl]indol-4-yl]oxyethyl-methylcarbamic acid.
What is the SMILES notation for 2-[1-[(3-fluorophenyl)methyl]indol-4-yl]oxyethyl-methylcarbamic acid?
The canonical SMILES for 2-[1-[(3-fluorophenyl)methyl]indol-4-yl]oxyethyl-methylcarbamic acid is CN(CCOc1cccc2c1ccn2Cc1cccc(F)c1)C(=O)O.
What is the InChIKey of 2-[1-[(3-fluorophenyl)methyl]indol-4-yl]oxyethyl-methylcarbamic acid?
The InChIKey is DDLZXDNCIGSEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-21(19(23)24)10-11-25-18-7-3-6-17-16(18)8-9-22(17)13-14-4-2-5-15(20)12-14/h2-9,12H,10-11,13H2,1H3,(H,23,24).
What are the key properties of 2-[1-[(3-fluorophenyl)methyl]indol-4-yl]oxyethyl-methylcarbamic acid?
2-[1-[(3-fluorophenyl)methyl]indol-4-yl]oxyethyl-methylcarbamic acid has a molecular weight of 342.37 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluorophenyl)methyl]indol-4-yl]oxyethyl-methylcarbamic acid is sourced from PubChem (CID 150012015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).