propyl N-[4-[(4-fluorophenyl)methyl-methylamino]-2-methoxyphenyl]carbamate

C19H23FN2O3 — CID 10247026

IUPACpropyl N-[4-[(4-fluorophenyl)methyl-methylamino]-2-methoxyphenyl]carbamate
SMILESCCCOC(=O)Nc1ccc(N(C)Cc2ccc(F)cc2)cc1OC
InChIInChI=1S/C19H23FN2O3/c1-4-11-25-19(23)21-17-10-9-16(12-18(17)24-3)22(2)13-14-5-7-15(20)8-6-14/h5-10,12H,4,11,13H2,1-3H3,(H,21,23)
InChIKeyFCHLJBHFHBTVKP-UHFFFAOYSA-N
MW346.40 g/mol
LogP4.43
Rot. Bonds7

About propyl N-[4-[(4-fluorophenyl)methyl-methylamino]-2-methoxyphenyl]carbamate

propyl N-[4-[(4-fluorophenyl)methyl-methylamino]-2-methoxyphenyl]carbamate (PubChem CID 10247026) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is propyl N-[4-[(4-fluorophenyl)methyl-methylamino]-2-methoxyphenyl]carbamate.

Molecular Properties

Compound Namepropyl N-[4-[(4-fluorophenyl)methyl-methylamino]-2-methoxyphenyl]carbamate
PubChem CID10247026
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Namepropyl N-[4-[(4-fluorophenyl)methyl-methylamino]-2-methoxyphenyl]carbamate
SMILESCCCOC(=O)Nc1ccc(N(C)Cc2ccc(F)cc2)cc1OC
InChIInChI=1S/C19H23FN2O3/c1-4-11-25-19(23)21-17-10-9-16(12-18(17)24-3)22(2)13-14-5-7-15(20)8-6-14/h5-10,12H,4,11,13H2,1-3H3,(H,21,23)
InChIKeyFCHLJBHFHBTVKP-UHFFFAOYSA-N
XLogP4.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl N-[4-[(4-fluorophenyl)methyl-methylamino]-2-methoxyphenyl]carbamate?
The IUPAC name of propyl N-[4-[(4-fluorophenyl)methyl-methylamino]-2-methoxyphenyl]carbamate (CID 10247026) is propyl N-[4-[(4-fluorophenyl)methyl-methylamino]-2-methoxyphenyl]carbamate.
What is the SMILES notation for propyl N-[4-[(4-fluorophenyl)methyl-methylamino]-2-methoxyphenyl]carbamate?
The canonical SMILES for propyl N-[4-[(4-fluorophenyl)methyl-methylamino]-2-methoxyphenyl]carbamate is CCCOC(=O)Nc1ccc(N(C)Cc2ccc(F)cc2)cc1OC.
What is the InChIKey of propyl N-[4-[(4-fluorophenyl)methyl-methylamino]-2-methoxyphenyl]carbamate?
The InChIKey is FCHLJBHFHBTVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-4-11-25-19(23)21-17-10-9-16(12-18(17)24-3)22(2)13-14-5-7-15(20)8-6-14/h5-10,12H,4,11,13H2,1-3H3,(H,21,23).
What are the key properties of propyl N-[4-[(4-fluorophenyl)methyl-methylamino]-2-methoxyphenyl]carbamate?
propyl N-[4-[(4-fluorophenyl)methyl-methylamino]-2-methoxyphenyl]carbamate has a molecular weight of 346.40 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[4-[(4-fluorophenyl)methyl-methylamino]-2-methoxyphenyl]carbamate is sourced from PubChem (CID 10247026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).