1-(1-cyclopropylethyl)-3-(2-fluoro-5-methylphenyl)urea

C13H17FN2O — CID 47133216

IUPAC1-(1-cyclopropylethyl)-3-(2-fluoro-5-methylphenyl)urea
SMILESCc1ccc(F)c(NC(=O)NC(C)C2CC2)c1
InChIInChI=1S/C13H17FN2O/c1-8-3-6-11(14)12(7-8)16-13(17)15-9(2)10-4-5-10/h3,6-7,9-10H,4-5H2,1-2H3,(H2,15,16,17)
InChIKeyKUCBKKTZBAIHJP-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.05
Rot. Bonds3

About 1-(1-cyclopropylethyl)-3-(2-fluoro-5-methylphenyl)urea

1-(1-cyclopropylethyl)-3-(2-fluoro-5-methylphenyl)urea (PubChem CID 47133216) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-3-(2-fluoro-5-methylphenyl)urea.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-3-(2-fluoro-5-methylphenyl)urea
PubChem CID47133216
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name1-(1-cyclopropylethyl)-3-(2-fluoro-5-methylphenyl)urea
SMILESCc1ccc(F)c(NC(=O)NC(C)C2CC2)c1
InChIInChI=1S/C13H17FN2O/c1-8-3-6-11(14)12(7-8)16-13(17)15-9(2)10-4-5-10/h3,6-7,9-10H,4-5H2,1-2H3,(H2,15,16,17)
InChIKeyKUCBKKTZBAIHJP-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea
CID 51641371
3-[(2-fluoro-5-methylphenyl)carbamoylamino]butanoic acid
CID 61194813
1-(2-fluorophenyl)-3-(1-piperidin-4-ylethyl)urea
CID 43523415
(2S)-2-[(2-fluoro-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 61196510
2-(1-cyclopropylethylcarbamoylamino)-5-hydroxybenzoic acid
CID 61405929
1-(1-cyclopropylethyl)-3-(2-ethylphenyl)urea
CID 47133266
1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346848
2-ethyl-N-(2-fluoro-5-methylphenyl)butanamide
CID 52892789
1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689
N-(2-fluoro-5-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013794
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
CID 6467653
3-[(2-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63042823

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-3-(2-fluoro-5-methylphenyl)urea?
The IUPAC name of 1-(1-cyclopropylethyl)-3-(2-fluoro-5-methylphenyl)urea (CID 47133216) is 1-(1-cyclopropylethyl)-3-(2-fluoro-5-methylphenyl)urea.
What is the SMILES notation for 1-(1-cyclopropylethyl)-3-(2-fluoro-5-methylphenyl)urea?
The canonical SMILES for 1-(1-cyclopropylethyl)-3-(2-fluoro-5-methylphenyl)urea is Cc1ccc(F)c(NC(=O)NC(C)C2CC2)c1.
What is the InChIKey of 1-(1-cyclopropylethyl)-3-(2-fluoro-5-methylphenyl)urea?
The InChIKey is KUCBKKTZBAIHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-8-3-6-11(14)12(7-8)16-13(17)15-9(2)10-4-5-10/h3,6-7,9-10H,4-5H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(1-cyclopropylethyl)-3-(2-fluoro-5-methylphenyl)urea?
1-(1-cyclopropylethyl)-3-(2-fluoro-5-methylphenyl)urea has a molecular weight of 236.29 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-3-(2-fluoro-5-methylphenyl)urea is sourced from PubChem (CID 47133216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).