1-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-(trifluoromethyl)phenyl]-3-methylurea

C19H21F3N2O2 — CID 126588608

IUPAC1-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-(trifluoromethyl)phenyl]-3-methylurea
SMILESCCc1ccc(OCc2ccc(C(F)(F)F)cc2NC(=O)NC)c(C)c1
InChIInChI=1S/C19H21F3N2O2/c1-4-13-5-8-17(12(2)9-13)26-11-14-6-7-15(19(20,21)22)10-16(14)24-18(25)23-3/h5-10H,4,11H2,1-3H3,(H2,23,24,25)
InChIKeyKJOPDSJKBGPAJD-UHFFFAOYSA-N
MW366.38 g/mol
LogP4.91
Rot. Bonds5

About 1-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-(trifluoromethyl)phenyl]-3-methylurea

1-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-(trifluoromethyl)phenyl]-3-methylurea (PubChem CID 126588608) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 1-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-(trifluoromethyl)phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-(trifluoromethyl)phenyl]-3-methylurea
PubChem CID126588608
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Name1-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-(trifluoromethyl)phenyl]-3-methylurea
SMILESCCc1ccc(OCc2ccc(C(F)(F)F)cc2NC(=O)NC)c(C)c1
InChIInChI=1S/C19H21F3N2O2/c1-4-13-5-8-17(12(2)9-13)26-11-14-6-7-15(19(20,21)22)10-16(14)24-18(25)23-3/h5-10H,4,11H2,1-3H3,(H2,23,24,25)
InChIKeyKJOPDSJKBGPAJD-UHFFFAOYSA-N
XLogP4.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(difluoromethyl)-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
CID 126515823
1-[4-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
CID 126515913
O-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-(trifluoromethyl)phenyl]carbamothioate
CID 126589005
ethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126589055
1-[4-ethenyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
CID 126515985
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]propanamide
CID 126587630
O-methyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamothioate
CID 126588550
1-[3-(difluoromethyl)-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
CID 126589307
1-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-(trifluoromethyl)phenyl]-1-hydroxy-3-methylurea
CID 126587969
1-(4-ethyl-2-methylphenyl)-3-methylurea
CID 23348894
N-[5-ethenyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide
CID 129054233
O-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-(trifluoromethyl)phenyl]carbamothioate
CID 126515839

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-(trifluoromethyl)phenyl]-3-methylurea?
The IUPAC name of 1-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-(trifluoromethyl)phenyl]-3-methylurea (CID 126588608) is 1-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-(trifluoromethyl)phenyl]-3-methylurea.
What is the SMILES notation for 1-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-(trifluoromethyl)phenyl]-3-methylurea?
The canonical SMILES for 1-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-(trifluoromethyl)phenyl]-3-methylurea is CCc1ccc(OCc2ccc(C(F)(F)F)cc2NC(=O)NC)c(C)c1.
What is the InChIKey of 1-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-(trifluoromethyl)phenyl]-3-methylurea?
The InChIKey is KJOPDSJKBGPAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-4-13-5-8-17(12(2)9-13)26-11-14-6-7-15(19(20,21)22)10-16(14)24-18(25)23-3/h5-10H,4,11H2,1-3H3,(H2,23,24,25).
What are the key properties of 1-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-(trifluoromethyl)phenyl]-3-methylurea?
1-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-(trifluoromethyl)phenyl]-3-methylurea has a molecular weight of 366.38 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-(trifluoromethyl)phenyl]-3-methylurea is sourced from PubChem (CID 126588608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).