1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea

C18H17F3N2O2 — CID 71782220

IUPAC1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC1(O)CCc2ccccc21)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)13-5-3-6-14(10-13)23-16(24)22-11-17(25)9-8-12-4-1-2-7-15(12)17/h1-7,10,25H,8-9,11H2,(H2,22,23,24)
InChIKeyIFCOKSFCKQKUPI-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.66
Rot. Bonds3

About 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 71782220) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID71782220
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC1(O)CCc2ccccc21)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)13-5-3-6-14(10-13)23-16(24)22-11-17(25)9-8-12-4-1-2-7-15(12)17/h1-7,10,25H,8-9,11H2,(H2,22,23,24)
InChIKeyIFCOKSFCKQKUPI-UHFFFAOYSA-N
XLogP3.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide
CID 95983115
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
1-[[1-(aminomethyl)cyclopropyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 115456909
1-(2,3-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 75387625
1-anilino-3-[3-(trifluoromethyl)phenyl]urea
CID 4549363
1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2897923
1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 126784919
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892
N'-(3-fluorophenyl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]oxamide
CID 111110774
1-(2-hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2812620
1-(3-cyclopropyl-3-hydroxypropyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 71787561
4-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 28511821

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 71782220) is 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea is O=C(NCC1(O)CCc2ccccc21)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is IFCOKSFCKQKUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c19-18(20,21)13-5-3-6-14(10-13)23-16(24)22-11-17(25)9-8-12-4-1-2-7-15(12)17/h1-7,10,25H,8-9,11H2,(H2,22,23,24).
What are the key properties of 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 350.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 71782220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).