1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylcyclopropyl)urea

C17H14ClF3N2O — CID 113215154

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylcyclopropyl)urea
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)NC1(c2ccccc2)CC1
InChIInChI=1S/C17H14ClF3N2O/c18-14-7-6-12(10-13(14)17(19,20)21)22-15(24)23-16(8-9-16)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,22,23,24)
InChIKeyWPLTUYWZKJZNMF-UHFFFAOYSA-N
MW354.76 g/mol
LogP5.17
Rot. Bonds3

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylcyclopropyl)urea

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylcyclopropyl)urea (PubChem CID 113215154) has the molecular formula C17H14ClF3N2O and a molecular weight of 354.76 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylcyclopropyl)urea.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylcyclopropyl)urea
PubChem CID113215154
Molecular FormulaC17H14ClF3N2O
Molecular Weight354.76 g/mol
Exact Mass354.07
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylcyclopropyl)urea
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)NC1(c2ccccc2)CC1
InChIInChI=1S/C17H14ClF3N2O/c18-14-7-6-12(10-13(14)17(19,20)21)22-15(24)23-16(8-9-16)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,22,23,24)
InChIKeyWPLTUYWZKJZNMF-UHFFFAOYSA-N
XLogP5.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.76
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]urea
CID 19433222
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709
3-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2-dihydroindazole-3-carboxylic acid
CID 151813540
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 16654156
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,5-dihydroxyphenyl)urea
CID 108895420
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(phenoxymethyl)urea
CID 108888847
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-oxatricyclo[3.3.1.13,7]decan-1-yl)urea
CID 126507595
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-ethenylurea
CID 108909133
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-3-phenylpropanamide
CID 727661
N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 3121382
N'-benzhydryl-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108507995
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 110372029

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylcyclopropyl)urea?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylcyclopropyl)urea (CID 113215154) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylcyclopropyl)urea.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylcyclopropyl)urea?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylcyclopropyl)urea is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)NC1(c2ccccc2)CC1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylcyclopropyl)urea?
The InChIKey is WPLTUYWZKJZNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O/c18-14-7-6-12(10-13(14)17(19,20)21)22-15(24)23-16(8-9-16)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,22,23,24).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylcyclopropyl)urea?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylcyclopropyl)urea has a molecular weight of 354.76 g/mol, XLogP of 5.17, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylcyclopropyl)urea is sourced from PubChem (CID 113215154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).