difluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-methoxyphenyl]carbamate

C18H19F2NO4 — CID 129039832

IUPACdifluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-methoxyphenyl]carbamate
SMILESCOc1ccc(COc2ccc(C)cc2C)c(NC(=O)OC(F)F)c1
InChIInChI=1S/C18H19F2NO4/c1-11-4-7-16(12(2)8-11)24-10-13-5-6-14(23-3)9-15(13)21-18(22)25-17(19)20/h4-9,17H,10H2,1-3H3,(H,21,22)
InChIKeyBHWLJWNLCAADLP-UHFFFAOYSA-N
MW351.35 g/mol
LogP4.66
Rot. Bonds6

About difluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-methoxyphenyl]carbamate

difluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-methoxyphenyl]carbamate (PubChem CID 129039832) has the molecular formula C18H19F2NO4 and a molecular weight of 351.35 g/mol. Its IUPAC name is difluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-methoxyphenyl]carbamate.

Molecular Properties

Compound Namedifluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-methoxyphenyl]carbamate
PubChem CID129039832
Molecular FormulaC18H19F2NO4
Molecular Weight351.35 g/mol
Exact Mass351.13
IUPAC Namedifluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-methoxyphenyl]carbamate
SMILESCOc1ccc(COc2ccc(C)cc2C)c(NC(=O)OC(F)F)c1
InChIInChI=1S/C18H19F2NO4/c1-11-4-7-16(12(2)8-11)24-10-13-5-6-14(23-3)9-15(13)21-18(22)25-17(19)20/h4-9,17H,10H2,1-3H3,(H,21,22)
InChIKeyBHWLJWNLCAADLP-UHFFFAOYSA-N
XLogP4.66
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]carbamate
CID 126589188
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
O-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-methoxyphenyl]carbamothioate
CID 129039222
methyl N-[5-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate
CID 129039275
difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-fluorophenyl]carbamate
CID 126515964
methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-propan-2-ylphenyl]carbamate
CID 129039211
N-[2-[(2,4-dimethylphenoxy)methyl]-5-iodophenyl]propanamide
CID 129039617
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]propanamide
CID 126587630
ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]carbamate
CID 129039328
S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethoxyphenyl]carbamothioate
CID 129039735
ethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126589055

Frequently Asked Questions

What is the IUPAC name of difluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-methoxyphenyl]carbamate?
The IUPAC name of difluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-methoxyphenyl]carbamate (CID 129039832) is difluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-methoxyphenyl]carbamate.
What is the SMILES notation for difluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-methoxyphenyl]carbamate?
The canonical SMILES for difluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-methoxyphenyl]carbamate is COc1ccc(COc2ccc(C)cc2C)c(NC(=O)OC(F)F)c1.
What is the InChIKey of difluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-methoxyphenyl]carbamate?
The InChIKey is BHWLJWNLCAADLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO4/c1-11-4-7-16(12(2)8-11)24-10-13-5-6-14(23-3)9-15(13)21-18(22)25-17(19)20/h4-9,17H,10H2,1-3H3,(H,21,22).
What are the key properties of difluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-methoxyphenyl]carbamate?
difluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-methoxyphenyl]carbamate has a molecular weight of 351.35 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-methoxyphenyl]carbamate is sourced from PubChem (CID 129039832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).