1-(2-hydroxyethyl)-1-propan-2-yl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea

C14H19F3N2O2 — CID 75521639

IUPAC1-(2-hydroxyethyl)-1-propan-2-yl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
SMILESCC(C)N(CCO)C(=O)Nc1cccc(CC(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2/c1-10(2)19(6-7-20)13(21)18-12-5-3-4-11(8-12)9-14(15,16)17/h3-5,8,10,20H,6-7,9H2,1-2H3,(H,18,21)
InChIKeyXWSXHRQRBBBLGS-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.03
Rot. Bonds5

About 1-(2-hydroxyethyl)-1-propan-2-yl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea

1-(2-hydroxyethyl)-1-propan-2-yl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea (PubChem CID 75521639) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-propan-2-yl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-propan-2-yl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
PubChem CID75521639
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name1-(2-hydroxyethyl)-1-propan-2-yl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
SMILESCC(C)N(CCO)C(=O)Nc1cccc(CC(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2/c1-10(2)19(6-7-20)13(21)18-12-5-3-4-11(8-12)9-14(15,16)17/h3-5,8,10,20H,6-7,9H2,1-2H3,(H,18,21)
InChIKeyXWSXHRQRBBBLGS-UHFFFAOYSA-N
XLogP3.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-hydroxyethyl)-1-propan-2-yl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-dimethyl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
CID 70150186
3-amino-2-methyl-N-[3-(2,2,2-trifluoroethyl)phenyl]butanamide
CID 120501532
3-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]-1-(2-hydroxyethyl)-1-propan-2-ylurea
CID 91660455
3-[3-[[propan-2-yl(propyl)carbamoyl]amino]phenyl]propanoic acid
CID 115340617
(2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride
CID 119333857
5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653024
2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide
CID 119333864
2-(methylamino)-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide;hydrochloride
CID 119801597
2-[propan-2-yl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid
CID 61182416
N'-[(2R)-1-cyanopropan-2-yl]-N'-methyl-N-[3-(2,2,2-trifluoroethyl)phenyl]oxamide
CID 99631966
1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
CID 111475757
4-(2-hydroxyethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]piperazine-1-carboxamide
CID 71916532

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-propan-2-yl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-propan-2-yl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea (CID 75521639) is 1-(2-hydroxyethyl)-1-propan-2-yl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-propan-2-yl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-propan-2-yl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea is CC(C)N(CCO)C(=O)Nc1cccc(CC(F)(F)F)c1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-propan-2-yl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea?
The InChIKey is XWSXHRQRBBBLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-10(2)19(6-7-20)13(21)18-12-5-3-4-11(8-12)9-14(15,16)17/h3-5,8,10,20H,6-7,9H2,1-2H3,(H,18,21).
What are the key properties of 1-(2-hydroxyethyl)-1-propan-2-yl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea?
1-(2-hydroxyethyl)-1-propan-2-yl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea has a molecular weight of 304.31 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-propan-2-yl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea is sourced from PubChem (CID 75521639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).