benzyl N-[3-(4-fluorophenyl)-4-propoxyphenyl]carbamate

C23H22FNO3 — CID 134391717

IUPACbenzyl N-[3-(4-fluorophenyl)-4-propoxyphenyl]carbamate
SMILESCCCOc1ccc(NC(=O)OCc2ccccc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C23H22FNO3/c1-2-14-27-22-13-12-20(15-21(22)18-8-10-19(24)11-9-18)25-23(26)28-16-17-6-4-3-5-7-17/h3-13,15H,2,14,16H2,1H3,(H,25,26)
InChIKeyFEENPMZYWBIXHS-UHFFFAOYSA-N
MW379.43 g/mol
LogP6.03
Rot. Bonds7

About benzyl N-[3-(4-fluorophenyl)-4-propoxyphenyl]carbamate

benzyl N-[3-(4-fluorophenyl)-4-propoxyphenyl]carbamate (PubChem CID 134391717) has the molecular formula C23H22FNO3 and a molecular weight of 379.43 g/mol. Its IUPAC name is benzyl N-[3-(4-fluorophenyl)-4-propoxyphenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(4-fluorophenyl)-4-propoxyphenyl]carbamate
PubChem CID134391717
Molecular FormulaC23H22FNO3
Molecular Weight379.43 g/mol
Exact Mass379.16
IUPAC Namebenzyl N-[3-(4-fluorophenyl)-4-propoxyphenyl]carbamate
SMILESCCCOc1ccc(NC(=O)OCc2ccccc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C23H22FNO3/c1-2-14-27-22-13-12-20(15-21(22)18-8-10-19(24)11-9-18)25-23(26)28-16-17-6-4-3-5-7-17/h3-13,15H,2,14,16H2,1H3,(H,25,26)
InChIKeyFEENPMZYWBIXHS-UHFFFAOYSA-N
XLogP6.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.43
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-4-propoxybenzoic acid
CID 134391719
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2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate
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benzyl N-[3-fluoro-4-[4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]phenyl]carbamate
CID 141479292
benzyl N-[4-(dimethoxymethyl)-3-fluorophenyl]carbamate
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propyl N-(4-phenylmethoxyphenyl)carbamate
CID 19169909
2-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]acetic acid
CID 125458336
benzyl N-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]carbamate
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benzyl N-(4-amino-3-methoxyphenyl)carbamate
CID 154476991
pyridin-4-ylmethyl N-(4-fluorophenyl)carbamate
CID 21001
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(4-fluorophenyl)-4-propoxyphenyl]carbamate?
The IUPAC name of benzyl N-[3-(4-fluorophenyl)-4-propoxyphenyl]carbamate (CID 134391717) is benzyl N-[3-(4-fluorophenyl)-4-propoxyphenyl]carbamate.
What is the SMILES notation for benzyl N-[3-(4-fluorophenyl)-4-propoxyphenyl]carbamate?
The canonical SMILES for benzyl N-[3-(4-fluorophenyl)-4-propoxyphenyl]carbamate is CCCOc1ccc(NC(=O)OCc2ccccc2)cc1-c1ccc(F)cc1.
What is the InChIKey of benzyl N-[3-(4-fluorophenyl)-4-propoxyphenyl]carbamate?
The InChIKey is FEENPMZYWBIXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO3/c1-2-14-27-22-13-12-20(15-21(22)18-8-10-19(24)11-9-18)25-23(26)28-16-17-6-4-3-5-7-17/h3-13,15H,2,14,16H2,1H3,(H,25,26).
What are the key properties of benzyl N-[3-(4-fluorophenyl)-4-propoxyphenyl]carbamate?
benzyl N-[3-(4-fluorophenyl)-4-propoxyphenyl]carbamate has a molecular weight of 379.43 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(4-fluorophenyl)-4-propoxyphenyl]carbamate is sourced from PubChem (CID 134391717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).