2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate

C16H16FNO3 — CID 11687874

IUPAC2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate
SMILESNC(=O)OCCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C16H16FNO3/c17-14-3-1-2-13(10-14)11-21-15-6-4-12(5-7-15)8-9-20-16(18)19/h1-7,10H,8-9,11H2,(H2,18,19)
InChIKeyQPRGKUZTYXRGLE-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.04
Rot. Bonds6

About 2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate

2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate (PubChem CID 11687874) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate.

Molecular Properties

Compound Name2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate
PubChem CID11687874
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate
SMILESNC(=O)OCCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C16H16FNO3/c17-14-3-1-2-13(10-14)11-21-15-6-4-12(5-7-15)8-9-20-16(18)19/h1-7,10H,8-9,11H2,(H2,18,19)
InChIKeyQPRGKUZTYXRGLE-UHFFFAOYSA-N
XLogP3.04
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
CID 11300296
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
(E)-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 22476623
1-butyl-4-[(3-fluorophenyl)methoxy]benzene
CID 162218759
3-[4-[(3-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanamide
CID 171869350
(2S)-2-ethoxy-3-[4-[2-[4-[(3-fluorophenyl)methoxy]phenyl]ethoxy]phenyl]propanoic acid
CID 57156580
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126
2-(4-phenylmethoxyphenoxy)ethyl carbamate
CID 175203951
2-[3-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 60604617
methyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate
CID 69037597
1-fluoro-3-[(4-hexylphenoxy)methyl]benzene
CID 123640981
2-phenylethyl (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 91215206

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate?
The IUPAC name of 2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate (CID 11687874) is 2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate.
What is the SMILES notation for 2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate?
The canonical SMILES for 2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate is NC(=O)OCCc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of 2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate?
The InChIKey is QPRGKUZTYXRGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c17-14-3-1-2-13(10-14)11-21-15-6-4-12(5-7-15)8-9-20-16(18)19/h1-7,10H,8-9,11H2,(H2,18,19).
What are the key properties of 2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate?
2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate has a molecular weight of 289.31 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate is sourced from PubChem (CID 11687874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).