1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-3-(1H-indol-7-yl)urea

C19H18F3N3O2 — CID 166223789

IUPAC1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-3-(1H-indol-7-yl)urea
SMILESCC(CO)(NC(=O)Nc1cccc2cc[nH]c12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3N3O2/c1-18(11-26,13-5-3-6-14(10-13)19(20,21)22)25-17(27)24-15-7-2-4-12-8-9-23-16(12)15/h2-10,23,26H,11H2,1H3,(H2,24,25,27)
InChIKeyMLDMOKKHAWJQKF-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.22
Rot. Bonds4

About 1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-3-(1H-indol-7-yl)urea

1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-3-(1H-indol-7-yl)urea (PubChem CID 166223789) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-3-(1H-indol-7-yl)urea.

Molecular Properties

Compound Name1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-3-(1H-indol-7-yl)urea
PubChem CID166223789
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-3-(1H-indol-7-yl)urea
SMILESCC(CO)(NC(=O)Nc1cccc2cc[nH]c12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3N3O2/c1-18(11-26,13-5-3-6-14(10-13)19(20,21)22)25-17(27)24-15-7-2-4-12-8-9-23-16(12)15/h2-10,23,26H,11H2,1H3,(H2,24,25,27)
InChIKeyMLDMOKKHAWJQKF-UHFFFAOYSA-N
XLogP4.22
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-indol-7-yl)-3-[4-(1H-indol-7-ylcarbamoylamino)butyl]urea
CID 139042864
2-(ethylamino)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 61050689
N-(1H-indol-7-ylmethyl)-3,5-bis(trifluoromethyl)aniline
CID 162548025
4-(1H-indol-7-ylsulfamoyl)benzoic acid
CID 22228599
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
1-(1-hydroxy-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115619743
1-(2-cyanopropan-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 61315924
(2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 66678514
1-[1,1,1-trifluoro-4,4-dimethyl-2-(trifluoromethyl)pentan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 71672954
1-(4-chlorophenyl)-3-(1-hydroxy-2-phenylpropan-2-yl)urea
CID 115621952
3-(ethylamino)-3-[3-(trifluoromethyl)phenyl]butanamide
CID 65234342
N-[(2R)-2-(3-bromophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide
CID 66931419

Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-3-(1H-indol-7-yl)urea?
The IUPAC name of 1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-3-(1H-indol-7-yl)urea (CID 166223789) is 1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-3-(1H-indol-7-yl)urea.
What is the SMILES notation for 1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-3-(1H-indol-7-yl)urea?
The canonical SMILES for 1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-3-(1H-indol-7-yl)urea is CC(CO)(NC(=O)Nc1cccc2cc[nH]c12)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-3-(1H-indol-7-yl)urea?
The InChIKey is MLDMOKKHAWJQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-18(11-26,13-5-3-6-14(10-13)19(20,21)22)25-17(27)24-15-7-2-4-12-8-9-23-16(12)15/h2-10,23,26H,11H2,1H3,(H2,24,25,27).
What are the key properties of 1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-3-(1H-indol-7-yl)urea?
1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-3-(1H-indol-7-yl)urea has a molecular weight of 377.37 g/mol, XLogP of 4.22, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-3-(1H-indol-7-yl)urea is sourced from PubChem (CID 166223789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).