difluoromethyl N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate

C21H23F2NO3 — CID 126589148

IUPACdifluoromethyl N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
SMILESCCc1ccc(OCc2cccc(C3CC3)c2NC(=O)OC(F)F)c(C)c1
InChIInChI=1S/C21H23F2NO3/c1-3-14-7-10-18(13(2)11-14)26-12-16-5-4-6-17(15-8-9-15)19(16)24-21(25)27-20(22)23/h4-7,10-11,15,20H,3,8-9,12H2,1-2H3,(H,24,25)
InChIKeyLSDNUNYETNQMLC-UHFFFAOYSA-N
MW375.42 g/mol
LogP5.78
Rot. Bonds7

About difluoromethyl N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate

difluoromethyl N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate (PubChem CID 126589148) has the molecular formula C21H23F2NO3 and a molecular weight of 375.42 g/mol. Its IUPAC name is difluoromethyl N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate.

Molecular Properties

Compound Namedifluoromethyl N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
PubChem CID126589148
Molecular FormulaC21H23F2NO3
Molecular Weight375.42 g/mol
Exact Mass375.16
IUPAC Namedifluoromethyl N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
SMILESCCc1ccc(OCc2cccc(C3CC3)c2NC(=O)OC(F)F)c(C)c1
InChIInChI=1S/C21H23F2NO3/c1-3-14-7-10-18(13(2)11-14)26-12-16-5-4-6-17(15-8-9-15)19(16)24-21(25)27-20(22)23/h4-7,10-11,15,20H,3,8-9,12H2,1-2H3,(H,24,25)
InChIKeyLSDNUNYETNQMLC-UHFFFAOYSA-N
XLogP5.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.42
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-fluorophenyl]carbamate
CID 126515964
1-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-1-hydroxy-3-methylurea
CID 126515595
difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]carbamate
CID 126589188
N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide
CID 126589180
ethyl N-[2-ethoxy-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126588557
S-methyl N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate
CID 126515841
S-[3-cyclopropyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl] propanethioate
CID 122626928
N-[2-bromo-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide
CID 126588301
O-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-(trifluoromethyl)phenyl]carbamothioate
CID 126515839
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-methylphenyl]propanethioamide
CID 126588003
1-[5-(difluoromethyl)-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
CID 126515823
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-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate?
The IUPAC name of difluoromethyl N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate (CID 126589148) is difluoromethyl N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate.
What is the SMILES notation for difluoromethyl N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate?
The canonical SMILES for difluoromethyl N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate is CCc1ccc(OCc2cccc(C3CC3)c2NC(=O)OC(F)F)c(C)c1.
What is the InChIKey of difluoromethyl N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate?
The InChIKey is LSDNUNYETNQMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO3/c1-3-14-7-10-18(13(2)11-14)26-12-16-5-4-6-17(15-8-9-15)19(16)24-21(25)27-20(22)23/h4-7,10-11,15,20H,3,8-9,12H2,1-2H3,(H,24,25).
What are the key properties of difluoromethyl N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate?
difluoromethyl N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate has a molecular weight of 375.42 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate is sourced from PubChem (CID 126589148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).