difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]carbamate

C19H21F2NO4 — CID 126589188

IUPACdifluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]carbamate
SMILESCCc1ccc(OCc2cc(OC)ccc2NC(=O)OC(F)F)c(C)c1
InChIInChI=1S/C19H21F2NO4/c1-4-13-5-8-17(12(2)9-13)25-11-14-10-15(24-3)6-7-16(14)22-19(23)26-18(20)21/h5-10,18H,4,11H2,1-3H3,(H,22,23)
InChIKeyWIJVRIZGWBCKKS-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.92
Rot. Bonds7

About difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]carbamate

difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]carbamate (PubChem CID 126589188) has the molecular formula C19H21F2NO4 and a molecular weight of 365.38 g/mol. Its IUPAC name is difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]carbamate.

Molecular Properties

Compound Namedifluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]carbamate
PubChem CID126589188
Molecular FormulaC19H21F2NO4
Molecular Weight365.38 g/mol
Exact Mass365.14
IUPAC Namedifluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]carbamate
SMILESCCc1ccc(OCc2cc(OC)ccc2NC(=O)OC(F)F)c(C)c1
InChIInChI=1S/C19H21F2NO4/c1-4-13-5-8-17(12(2)9-13)25-11-14-10-15(24-3)6-7-16(14)22-19(23)26-18(20)21/h5-10,18H,4,11H2,1-3H3,(H,22,23)
InChIKeyWIJVRIZGWBCKKS-UHFFFAOYSA-N
XLogP4.92
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-fluorophenyl]carbamate
CID 126515964
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]propanamide
CID 126588571
difluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-methoxyphenyl]carbamate
CID 129039832
methyl N-[4-bromo-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126589168
difluoromethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate
CID 129039570
difluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-iodophenyl]carbamate
CID 129039540
N-[1-(difluoromethoxy)ethenyl]-4-(difluoromethyl)-2-[(4-ethyl-2-methylphenoxy)methyl]aniline
CID 126515849
1-[4-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
CID 126515913
O-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-methoxyphenyl]carbamothioate
CID 129039222
N-[4-ethoxy-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanethioamide
CID 126589423
difluoromethyl N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126589148
methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]-N-hydroxycarbamate
CID 126588583

Frequently Asked Questions

What is the IUPAC name of difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]carbamate?
The IUPAC name of difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]carbamate (CID 126589188) is difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]carbamate.
What is the SMILES notation for difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]carbamate?
The canonical SMILES for difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]carbamate is CCc1ccc(OCc2cc(OC)ccc2NC(=O)OC(F)F)c(C)c1.
What is the InChIKey of difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]carbamate?
The InChIKey is WIJVRIZGWBCKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO4/c1-4-13-5-8-17(12(2)9-13)25-11-14-10-15(24-3)6-7-16(14)22-19(23)26-18(20)21/h5-10,18H,4,11H2,1-3H3,(H,22,23).
What are the key properties of difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]carbamate?
difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]carbamate has a molecular weight of 365.38 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]carbamate is sourced from PubChem (CID 126589188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).