1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea

C14H16ClF3N2O2 — CID 111976400

IUPAC1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
SMILESCC(CO)(NC(=O)Nc1ccc(C(F)(F)F)cc1Cl)C1CC1
InChIInChI=1S/C14H16ClF3N2O2/c1-13(7-21,8-2-3-8)20-12(22)19-11-5-4-9(6-10(11)15)14(16,17)18/h4-6,8,21H,2-3,7H2,1H3,(H2,19,20,22)
InChIKeyITWAKVHFDOSARM-UHFFFAOYSA-N
MW336.74 g/mol
LogP3.64
Rot. Bonds4

About 1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea

1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea (PubChem CID 111976400) has the molecular formula C14H16ClF3N2O2 and a molecular weight of 336.74 g/mol. Its IUPAC name is 1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
PubChem CID111976400
Molecular FormulaC14H16ClF3N2O2
Molecular Weight336.74 g/mol
Exact Mass336.09
IUPAC Name1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
SMILESCC(CO)(NC(=O)Nc1ccc(C(F)(F)F)cc1Cl)C1CC1
InChIInChI=1S/C14H16ClF3N2O2/c1-13(7-21,8-2-3-8)20-12(22)19-11-5-4-9(6-10(11)15)14(16,17)18/h4-6,8,21H,2-3,7H2,1H3,(H2,19,20,22)
InChIKeyITWAKVHFDOSARM-UHFFFAOYSA-N
XLogP3.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.74
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]acetamide
CID 63669317
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-fluorophenyl)urea
CID 111976036
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-propan-2-ylphenyl)urea
CID 111976218
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-ethoxy-2-methylphenyl)urea
CID 111976325
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-ethoxy-4-methylphenyl)urea
CID 111976318
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide
CID 166140537
1-(2-benzylphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976246
2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 43707397
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110021320
1-(4-bromo-2,6-difluorophenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976434
1-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid
CID 65464806
1-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-chloro-2-(2-chlorophenyl)phenyl]urea
CID 167873930

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea (CID 111976400) is 1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea is CC(CO)(NC(=O)Nc1ccc(C(F)(F)F)cc1Cl)C1CC1.
What is the InChIKey of 1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea?
The InChIKey is ITWAKVHFDOSARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O2/c1-13(7-21,8-2-3-8)20-12(22)19-11-5-4-9(6-10(11)15)14(16,17)18/h4-6,8,21H,2-3,7H2,1H3,(H2,19,20,22).
What are the key properties of 1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea?
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea has a molecular weight of 336.74 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 111976400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).