1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea

C12H12ClF3N2O — CID 3867881

IUPAC1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea
SMILESO=C(NCC1CC1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H12ClF3N2O/c13-8-3-4-10(9(5-8)12(14,15)16)18-11(19)17-6-7-1-2-7/h3-5,7H,1-2,6H2,(H2,17,18,19)
InChIKeyIYBITUZISOEKGK-UHFFFAOYSA-N
MW292.69 g/mol
LogP3.89
Rot. Bonds3

About 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea

1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea (PubChem CID 3867881) has the molecular formula C12H12ClF3N2O and a molecular weight of 292.69 g/mol. Its IUPAC name is 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea.

Molecular Properties

Compound Name1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea
PubChem CID3867881
Molecular FormulaC12H12ClF3N2O
Molecular Weight292.69 g/mol
Exact Mass292.06
IUPAC Name1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea
SMILESO=C(NCC1CC1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H12ClF3N2O/c13-8-3-4-10(9(5-8)12(14,15)16)18-11(19)17-6-7-1-2-7/h3-5,7H,1-2,6H2,(H2,17,18,19)
InChIKeyIYBITUZISOEKGK-UHFFFAOYSA-N
XLogP3.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.69
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-(cyclopropylmethylcarbamoylamino)benzoic acid
CID 61182658
1-[(4-chlorophenoxy)methyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108885341
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,5-difluorophenyl)methyl]urea
CID 74224665
1-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108888189
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(phenoxymethyl)urea
CID 108889014
1-(2,4-dichlorophenyl)-3-(oxan-4-ylmethyl)urea
CID 108912758
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-pentylurea
CID 108990788
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylbutyl)urea
CID 47325404
1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea
CID 3873240
1-tert-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108896918
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide
CID 110687206

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea?
The IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea (CID 3867881) is 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea.
What is the SMILES notation for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea?
The canonical SMILES for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea is O=C(NCC1CC1)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea?
The InChIKey is IYBITUZISOEKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N2O/c13-8-3-4-10(9(5-8)12(14,15)16)18-11(19)17-6-7-1-2-7/h3-5,7H,1-2,6H2,(H2,17,18,19).
What are the key properties of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea?
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea has a molecular weight of 292.69 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea is sourced from PubChem (CID 3867881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).