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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Related Compounds

propyl N-[2-bromo-4-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]carbamate
CID 67267168
propyl N-[2-bromo-4-[(4-tert-butylphenyl)methyl-methylamino]phenyl]carbamate
CID 67268375
propyl N-[4-[(4-fluorophenyl)methyl-prop-2-ynylamino]-2-(propoxycarbonylamino)phenyl]carbamate
CID 155560988
2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate
CID 79349865
1-[2-cyclopentyloxy-4-[(4-fluorophenyl)methyl-methylamino]phenyl]-3-ethylurea
CID 67266931
S-ethyl N-[2-cyclopentyloxy-4-[(4-fluorophenyl)methyl-methylamino]phenyl]carbamothioate
CID 87331455
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
ethyl 2-(4-fluoro-2-methoxyanilino)-2-oxoacetate
CID 54967859
1-[4-(aminomethyl)-2-methoxyphenyl]-3-(4-fluorophenyl)urea
CID 104848502
2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 9300301
2-(dibutylamino)ethyl N-[4-[4-[2-(dibutylamino)ethoxycarbonylamino]-3-methoxyphenyl]-2-methoxyphenyl]carbamate
CID 59782292
ethyl N-[4-[but-2-ynyl-[(4-fluorophenyl)methyl]amino]-2-(ethoxycarbonylamino)phenyl]carbamate
CID 71558372

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).