[(3-fluoro-5-methoxyphenyl)-phenylmethyl] carbamate

C15H14FNO3 — CID 165174667

IUPAC[(3-fluoro-5-methoxyphenyl)-phenylmethyl] carbamate
SMILESCOc1cc(F)cc(C(OC(N)=O)c2ccccc2)c1
InChIInChI=1S/C15H14FNO3/c1-19-13-8-11(7-12(16)9-13)14(20-15(17)18)10-5-3-2-4-6-10/h2-9,14H,1H3,(H2,17,18)
InChIKeyYLQYNRWNUUNOIG-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.02
Rot. Bonds4

About [(3-fluoro-5-methoxyphenyl)-phenylmethyl] carbamate

[(3-fluoro-5-methoxyphenyl)-phenylmethyl] carbamate (PubChem CID 165174667) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is [(3-fluoro-5-methoxyphenyl)-phenylmethyl] carbamate.

Molecular Properties

Compound Name[(3-fluoro-5-methoxyphenyl)-phenylmethyl] carbamate
PubChem CID165174667
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name[(3-fluoro-5-methoxyphenyl)-phenylmethyl] carbamate
SMILESCOc1cc(F)cc(C(OC(N)=O)c2ccccc2)c1
InChIInChI=1S/C15H14FNO3/c1-19-13-8-11(7-12(16)9-13)14(20-15(17)18)10-5-3-2-4-6-10/h2-9,14H,1H3,(H2,17,18)
InChIKeyYLQYNRWNUUNOIG-UHFFFAOYSA-N
XLogP3.02
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-5-[methoxy(phenyl)methyl]benzoic acid
CID 164527252
1-(3-fluorophenyl)ethyl carbamate
CID 174605012
dinaphthalen-2-ylmethyl carbamate
CID 173097882
benzhydryl (2S)-2-bromopropanoate
CID 124603852
[(5-bromo-3-pyridinyl)-phenylmethyl] carbamate
CID 151204108
benzhydryl acetate;hydrazine
CID 122610283
benzhydryl 2-hydroxybut-2-enoate
CID 154093504
3-cyclopropyl-3-(3-fluoro-5-methoxyphenyl)propanoic acid
CID 117348798
(2S)-2-(3-fluoro-5-methoxyphenyl)propan-1-ol
CID 137495631
benzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate
CID 3480592
2-(3,5-difluorophenyl)-2-(4-methoxyphenyl)acetic acid
CID 142375762
benzhydryl 2,2-dihydroxyacetate
CID 11076121

Frequently Asked Questions

What is the IUPAC name of [(3-fluoro-5-methoxyphenyl)-phenylmethyl] carbamate?
The IUPAC name of [(3-fluoro-5-methoxyphenyl)-phenylmethyl] carbamate (CID 165174667) is [(3-fluoro-5-methoxyphenyl)-phenylmethyl] carbamate.
What is the SMILES notation for [(3-fluoro-5-methoxyphenyl)-phenylmethyl] carbamate?
The canonical SMILES for [(3-fluoro-5-methoxyphenyl)-phenylmethyl] carbamate is COc1cc(F)cc(C(OC(N)=O)c2ccccc2)c1.
What is the InChIKey of [(3-fluoro-5-methoxyphenyl)-phenylmethyl] carbamate?
The InChIKey is YLQYNRWNUUNOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-19-13-8-11(7-12(16)9-13)14(20-15(17)18)10-5-3-2-4-6-10/h2-9,14H,1H3,(H2,17,18).
What are the key properties of [(3-fluoro-5-methoxyphenyl)-phenylmethyl] carbamate?
[(3-fluoro-5-methoxyphenyl)-phenylmethyl] carbamate has a molecular weight of 275.28 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-fluoro-5-methoxyphenyl)-phenylmethyl] carbamate is sourced from PubChem (CID 165174667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).