1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea

C11H12F2N2O — CID 3873240

IUPAC1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea
SMILESO=C(NCC1CC1)Nc1cc(F)ccc1F
InChIInChI=1S/C11H12F2N2O/c12-8-3-4-9(13)10(5-8)15-11(16)14-6-7-1-2-7/h3-5,7H,1-2,6H2,(H2,14,15,16)
InChIKeyPTTKQZLGNKWVAM-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.50
Rot. Bonds3

About 1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea

1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea (PubChem CID 3873240) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea
PubChem CID3873240
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea
SMILESO=C(NCC1CC1)Nc1cc(F)ccc1F
InChIInChI=1S/C11H12F2N2O/c12-8-3-4-9(13)10(5-8)15-11(16)14-6-7-1-2-7/h3-5,7H,1-2,6H2,(H2,14,15,16)
InChIKeyPTTKQZLGNKWVAM-UHFFFAOYSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-3-(oxan-4-ylmethyl)urea
CID 108912997
1-(azepan-2-ylmethyl)-3-(2,5-difluorophenyl)urea;hydrochloride
CID 154900952
1-(2-fluorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea
CID 106125111
4-fluoro-3-(oxan-4-ylmethylcarbamoylamino)benzoic acid
CID 63705581
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea
CID 3867881
N-(2,5-difluorophenyl)-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151145
1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea
CID 106125333
5-(cyclobutylmethylcarbamoylamino)-2,4-difluorobenzoic acid
CID 61197047
5-chloro-2-(cyclopropylmethylcarbamoylamino)benzoic acid
CID 61182658
1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea
CID 47193946
5-fluoro-2-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid
CID 107414704
1-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
CID 15989563

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea (CID 3873240) is 1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea is O=C(NCC1CC1)Nc1cc(F)ccc1F.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea?
The InChIKey is PTTKQZLGNKWVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c12-8-3-4-9(13)10(5-8)15-11(16)14-6-7-1-2-7/h3-5,7H,1-2,6H2,(H2,14,15,16).
What are the key properties of 1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea?
1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea has a molecular weight of 226.23 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea is sourced from PubChem (CID 3873240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).