1-(2-fluoro-5-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

C13H17FN2O2 — CID 111572929

IUPAC1-(2-fluoro-5-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESCc1ccc(F)c(NC(=O)NCC2(CO)CC2)c1
InChIInChI=1S/C13H17FN2O2/c1-9-2-3-10(14)11(6-9)16-12(18)15-7-13(8-17)4-5-13/h2-3,6,17H,4-5,7-8H2,1H3,(H2,15,16,18)
InChIKeyNZAKUYLBVGIXHF-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.03
Rot. Bonds4

About 1-(2-fluoro-5-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

1-(2-fluoro-5-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (PubChem CID 111572929) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
PubChem CID111572929
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name1-(2-fluoro-5-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESCc1ccc(F)c(NC(=O)NCC2(CO)CC2)c1
InChIInChI=1S/C13H17FN2O2/c1-9-2-3-10(14)11(6-9)16-12(18)15-7-13(8-17)4-5-13/h2-3,6,17H,4-5,7-8H2,1H3,(H2,15,16,18)
InChIKeyNZAKUYLBVGIXHF-UHFFFAOYSA-N
XLogP2.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea
CID 115683139
1-(4-fluoro-2-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111572987
2-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methylbenzenesulfonamide
CID 115755603
1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689
1-(2-fluoro-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110020612
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
CID 6467653
3-[(2-fluoro-5-methylphenyl)carbamoylamino]butanoic acid
CID 61194813
N-(2-fluoro-5-methylphenyl)-1-hydroxycyclobutane-1-carboxamide
CID 126774295
1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936278
2-(2,5-dimethylphenyl)sulfanyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80708396
2-ethyl-N-(2-fluoro-5-methylphenyl)butanamide
CID 52892789
4-(2-fluoro-5-methylanilino)-4-oxobutanoic acid
CID 6470807

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (CID 111572929) is 1-(2-fluoro-5-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is Cc1ccc(F)c(NC(=O)NCC2(CO)CC2)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The InChIKey is NZAKUYLBVGIXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-9-2-3-10(14)11(6-9)16-12(18)15-7-13(8-17)4-5-13/h2-3,6,17H,4-5,7-8H2,1H3,(H2,15,16,18).
What are the key properties of 1-(2-fluoro-5-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
1-(2-fluoro-5-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea has a molecular weight of 252.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 111572929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).