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

C17H16ClF3N2O2 — CID 70685694

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(3-hydroxypropyl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccccc1CCCO
InChIInChI=1S/C17H16ClF3N2O2/c18-14-8-7-12(10-13(14)17(19,20)21)22-16(25)23-15-6-2-1-4-11(15)5-3-9-24/h1-2,4,6-8,10,24H,3,5,9H2,(H2,22,23,25)
InChIKeyPQCGIXKLEINJLJ-UHFFFAOYSA-N
MW372.77 g/mol
LogP4.93
Rot. Bonds5

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

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(3-hydroxypropyl)phenyl]urea (PubChem CID 70685694) has the molecular formula C17H16ClF3N2O2 and a molecular weight of 372.77 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(3-hydroxypropyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(3-hydroxypropyl)phenyl]urea
PubChem CID70685694
Molecular FormulaC17H16ClF3N2O2
Molecular Weight372.77 g/mol
Exact Mass372.09
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(3-hydroxypropyl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccccc1CCCO
InChIInChI=1S/C17H16ClF3N2O2/c18-14-8-7-12(10-13(14)17(19,20)21)22-16(25)23-15-6-2-1-4-11(15)5-3-9-24/h1-2,4,6-8,10,24H,3,5,9H2,(H2,22,23,25)
InChIKeyPQCGIXKLEINJLJ-UHFFFAOYSA-N
XLogP4.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.77
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 9800250
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[7-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]urea
CID 59666298
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[2-(2-hydroxyethyl)-3-methylphenyl]urea
CID 60021981
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea
CID 60022072
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[3-(2-hydroxyethyl)phenyl]urea
CID 70681468
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[2-(hydroxymethyl)phenyl]urea
CID 70685695
1-[2-(2-Aminoethyl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 70694078
1-[2-Chloro-5-(trifluoromethyl)phenyl]-3-[4-(2-hydroxyethyl)phenyl]urea
CID 310377
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-phenylurea
CID 1278778
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
CID 10430135
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
CID 10475136
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)urea
CID 11315133

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(3-hydroxypropyl)phenyl]urea?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(3-hydroxypropyl)phenyl]urea (CID 70685694) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(3-hydroxypropyl)phenyl]urea.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(3-hydroxypropyl)phenyl]urea?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(3-hydroxypropyl)phenyl]urea is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccccc1CCCO.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(3-hydroxypropyl)phenyl]urea?
The InChIKey is PQCGIXKLEINJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O2/c18-14-8-7-12(10-13(14)17(19,20)21)22-16(25)23-15-6-2-1-4-11(15)5-3-9-24/h1-2,4,6-8,10,24H,3,5,9H2,(H2,22,23,25).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(3-hydroxypropyl)phenyl]urea?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(3-hydroxypropyl)phenyl]urea has a molecular weight of 372.77 g/mol, XLogP of 4.93, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(3-hydroxypropyl)phenyl]urea is sourced from PubChem (CID 70685694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).