1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea

C17H16ClF3N2O2 — CID 108901052

IUPAC1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(CCNC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1
InChIInChI=1S/C17H16ClF3N2O2/c1-25-13-4-2-3-11(9-13)7-8-22-16(24)23-15-6-5-12(18)10-14(15)17(19,20)21/h2-6,9-10H,7-8H2,1H3,(H2,22,23,24)
InChIKeyUJWKSZPOXFOQIE-UHFFFAOYSA-N
MW372.77 g/mol
LogP4.73
Rot. Bonds5

About 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea

1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea (PubChem CID 108901052) has the molecular formula C17H16ClF3N2O2 and a molecular weight of 372.77 g/mol. Its IUPAC name is 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea
PubChem CID108901052
Molecular FormulaC17H16ClF3N2O2
Molecular Weight372.77 g/mol
Exact Mass372.09
IUPAC Name1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(CCNC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1
InChIInChI=1S/C17H16ClF3N2O2/c1-25-13-4-2-3-11(9-13)7-8-22-16(24)23-15-6-5-12(18)10-14(15)17(19,20)21/h2-6,9-10H,7-8H2,1H3,(H2,22,23,24)
InChIKeyUJWKSZPOXFOQIE-UHFFFAOYSA-N
XLogP4.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.77
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-hydroxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108900950
N-[2-(3-methoxyphenyl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000453
1-(5-chloro-2-methoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 3841185
1-[2-(3-methoxyphenyl)ethyl]-3-(2-sulfanylphenyl)urea
CID 108886567
1-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108900965
1-(2-chloro-6-fluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108896691
1-(2,5-dimethoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 23880823
1-[2-(2-chlorophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108900378
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,4-dimethoxyphenyl)urea
CID 108992212
1-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108888189
1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 60591409
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(phenoxymethyl)urea
CID 108889014

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea (CID 108901052) is 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea is COc1cccc(CCNC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1.
What is the InChIKey of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea?
The InChIKey is UJWKSZPOXFOQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O2/c1-25-13-4-2-3-11(9-13)7-8-22-16(24)23-15-6-5-12(18)10-14(15)17(19,20)21/h2-6,9-10H,7-8H2,1H3,(H2,22,23,24).
What are the key properties of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea?
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea has a molecular weight of 372.77 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 108901052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).