1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxypropan-2-yl)urea

C12H14ClF3N2O3 — CID 110891123

IUPAC1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C12H14ClF3N2O3/c1-7(5-19)17-11(20)18-9-4-8(13)2-3-10(9)21-6-12(14,15)16/h2-4,7,19H,5-6H2,1H3,(H2,17,18,20)
InChIKeyJNPRLALYGMJFKC-UHFFFAOYSA-N
MW326.70 g/mol
LogP2.78
Rot. Bonds5

About 1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxypropan-2-yl)urea

1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxypropan-2-yl)urea (PubChem CID 110891123) has the molecular formula C12H14ClF3N2O3 and a molecular weight of 326.70 g/mol. Its IUPAC name is 1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxypropan-2-yl)urea
PubChem CID110891123
Molecular FormulaC12H14ClF3N2O3
Molecular Weight326.70 g/mol
Exact Mass326.06
IUPAC Name1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C12H14ClF3N2O3/c1-7(5-19)17-11(20)18-9-4-8(13)2-3-10(9)21-6-12(14,15)16/h2-4,7,19H,5-6H2,1H3,(H2,17,18,20)
InChIKeyJNPRLALYGMJFKC-UHFFFAOYSA-N
XLogP2.78
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.70
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxypropan-2-yl)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-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110896841
1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023669
1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 111435033
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methylphenyl)acetamide
CID 30473976
2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134027239
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide
CID 30473788
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide
CID 134027237
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide
CID 55520956
2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31697715
5-chloro-N-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 154968259
2-(2,4-dichlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086752
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide
CID 37175499

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxypropan-2-yl)urea (CID 110891123) is 1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxypropan-2-yl)urea is CC(CO)NC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F.
What is the InChIKey of 1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxypropan-2-yl)urea?
The InChIKey is JNPRLALYGMJFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O3/c1-7(5-19)17-11(20)18-9-4-8(13)2-3-10(9)21-6-12(14,15)16/h2-4,7,19H,5-6H2,1H3,(H2,17,18,20).
What are the key properties of 1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxypropan-2-yl)urea?
1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxypropan-2-yl)urea has a molecular weight of 326.70 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 110891123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).