1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-(2,2,2-trifluoroethyl)urea

C11H11Cl2F3N2O2 — CID 111427361

IUPAC1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(O)c1cc(Cl)cc(Cl)c1)NCC(F)(F)F
InChIInChI=1S/C11H11Cl2F3N2O2/c12-7-1-6(2-8(13)3-7)9(19)4-17-10(20)18-5-11(14,15)16/h1-3,9,19H,4-5H2,(H2,17,18,20)
InChIKeyPILOBXHEPGSSNW-UHFFFAOYSA-N
MW331.12 g/mol
LogP2.89
Rot. Bonds4

About 1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-(2,2,2-trifluoroethyl)urea

1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 111427361) has the molecular formula C11H11Cl2F3N2O2 and a molecular weight of 331.12 g/mol. Its IUPAC name is 1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID111427361
Molecular FormulaC11H11Cl2F3N2O2
Molecular Weight331.12 g/mol
Exact Mass330.01
IUPAC Name1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(O)c1cc(Cl)cc(Cl)c1)NCC(F)(F)F
InChIInChI=1S/C11H11Cl2F3N2O2/c12-7-1-6(2-8(13)3-7)9(19)4-17-10(20)18-5-11(14,15)16/h1-3,9,19H,4-5H2,(H2,17,18,20)
InChIKeyPILOBXHEPGSSNW-UHFFFAOYSA-N
XLogP2.89
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.12
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea
CID 111427370
N-[(2S)-2-(3,5-dichlorophenyl)-2-hydroxyethyl]cyclopropanecarboxamide
CID 96501089
2-chloro-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]benzamide
CID 111427451
1-[(2R)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(3,3,3-trifluoropropyl)urea
CID 97248881
1-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(3,3,3-trifluoropropyl)urea
CID 97248880
1-[1-(3-chlorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47134201
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-4-(methylamino)butanamide
CID 119792581
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethylsulfanylpropanamide
CID 111427466
2-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61044931
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide
CID 111578607
cis-(1R,3S)-3-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065623
1-(4-chlorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 94863126

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-(2,2,2-trifluoroethyl)urea (CID 111427361) is 1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(O)c1cc(Cl)cc(Cl)c1)NCC(F)(F)F.
What is the InChIKey of 1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is PILOBXHEPGSSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2F3N2O2/c12-7-1-6(2-8(13)3-7)9(19)4-17-10(20)18-5-11(14,15)16/h1-3,9,19H,4-5H2,(H2,17,18,20).
What are the key properties of 1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-(2,2,2-trifluoroethyl)urea?
1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 331.12 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 111427361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).