[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamic acid

C16H14F3NO4 — CID 66789606

IUPAC[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamic acid
SMILESCOc1ccc(Oc2ccc(CNC(=O)O)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO4/c1-23-12-6-7-14(13(8-12)16(17,18)19)24-11-4-2-10(3-5-11)9-20-15(21)22/h2-8,20H,9H2,1H3,(H,21,22)
InChIKeyJCQRBHBFCOYZMC-UHFFFAOYSA-N
MW341.29 g/mol
LogP4.27
Rot. Bonds5

About [4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamic acid

[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamic acid (PubChem CID 66789606) has the molecular formula C16H14F3NO4 and a molecular weight of 341.29 g/mol. Its IUPAC name is [4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamic acid
PubChem CID66789606
Molecular FormulaC16H14F3NO4
Molecular Weight341.29 g/mol
Exact Mass341.09
IUPAC Name[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamic acid
SMILESCOc1ccc(Oc2ccc(CNC(=O)O)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO4/c1-23-12-6-7-14(13(8-12)16(17,18)19)24-11-4-2-10(3-5-11)9-20-15(21)22/h2-8,20H,9H2,1H3,(H,21,22)
InChIKeyJCQRBHBFCOYZMC-UHFFFAOYSA-N
XLogP4.27
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N'-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]cyclopropane-1,1-dicarboxamide
CID 68725061
[4-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]thian-4-yl]carbamic acid
CID 67534795
1-amino-4-hydroxy-N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]cyclohexane-1-carboxamide
CID 87436410
1-amino-3-methoxy-N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 87436147
methyl 4-[[1-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]amino]-4-oxobutanoate
CID 66792611
1-[3-(dimethylamino)propanoylamino]-N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 25231369
6-methoxy-N-[1-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyridine-2-carboxamide
CID 58487779
N-[4-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]oxan-4-yl]pyrimidine-5-carboxamide
CID 70846528
N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 58487837
1-[2-(6-chloro-2-pyridinyl)-2-oxoethyl]-N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 58487769
pyrimidin-5-yl N-[1-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]-3-oxocyclobutyl]carbamate
CID 67534570
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918

Frequently Asked Questions

What is the IUPAC name of [4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamic acid?
The IUPAC name of [4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamic acid (CID 66789606) is [4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamic acid.
What is the SMILES notation for [4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamic acid?
The canonical SMILES for [4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamic acid is COc1ccc(Oc2ccc(CNC(=O)O)cc2)c(C(F)(F)F)c1.
What is the InChIKey of [4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamic acid?
The InChIKey is JCQRBHBFCOYZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO4/c1-23-12-6-7-14(13(8-12)16(17,18)19)24-11-4-2-10(3-5-11)9-20-15(21)22/h2-8,20H,9H2,1H3,(H,21,22).
What are the key properties of [4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamic acid?
[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamic acid has a molecular weight of 341.29 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamic acid is sourced from PubChem (CID 66789606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).