1-(2,4-difluorophenyl)-3-[3-(hydroxymethyl)pentan-3-yl]urea

C13H18F2N2O2 — CID 62521942

IUPAC1-(2,4-difluorophenyl)-3-[3-(hydroxymethyl)pentan-3-yl]urea
SMILESCCC(CC)(CO)NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O2/c1-3-13(4-2,8-18)17-12(19)16-11-6-5-9(14)7-10(11)15/h5-7,18H,3-4,8H2,1-2H3,(H2,16,17,19)
InChIKeyFZMZIAFLXNYJAO-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.64
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-[3-(hydroxymethyl)pentan-3-yl]urea

1-(2,4-difluorophenyl)-3-[3-(hydroxymethyl)pentan-3-yl]urea (PubChem CID 62521942) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[3-(hydroxymethyl)pentan-3-yl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[3-(hydroxymethyl)pentan-3-yl]urea
PubChem CID62521942
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name1-(2,4-difluorophenyl)-3-[3-(hydroxymethyl)pentan-3-yl]urea
SMILESCCC(CC)(CO)NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O2/c1-3-13(4-2,8-18)17-12(19)16-11-6-5-9(14)7-10(11)15/h5-7,18H,3-4,8H2,1-2H3,(H2,16,17,19)
InChIKeyFZMZIAFLXNYJAO-UHFFFAOYSA-N
XLogP2.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-fluorophenyl)-3-[3-(hydroxymethyl)pentan-3-yl]urea
CID 111925894
1-(2,4-difluorophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111430082
1-(2,4-difluorophenyl)-3-[2-(4-fluorophenyl)propan-2-yl]urea
CID 113216228
1-(2,4-difluorophenyl)-3-(2,3-dihydroxy-2-methylpropyl)urea
CID 66168207
3-(3-ethylpentan-3-ylcarbamoylamino)-4-fluorobenzoic acid
CID 65042599
1-(2,4-difluorophenyl)-3-pentan-3-ylurea
CID 6469007
1-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-(2,4-difluorophenyl)urea
CID 61118848
N-tert-butyl-2-[(2,4-difluorophenyl)carbamoylamino]acetamide
CID 17424278
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-(4-hydroxybutan-2-yl)urea
CID 78998254
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
2,4,6-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
CID 107866560

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[3-(hydroxymethyl)pentan-3-yl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[3-(hydroxymethyl)pentan-3-yl]urea (CID 62521942) is 1-(2,4-difluorophenyl)-3-[3-(hydroxymethyl)pentan-3-yl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[3-(hydroxymethyl)pentan-3-yl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[3-(hydroxymethyl)pentan-3-yl]urea is CCC(CC)(CO)NC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[3-(hydroxymethyl)pentan-3-yl]urea?
The InChIKey is FZMZIAFLXNYJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-3-13(4-2,8-18)17-12(19)16-11-6-5-9(14)7-10(11)15/h5-7,18H,3-4,8H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(2,4-difluorophenyl)-3-[3-(hydroxymethyl)pentan-3-yl]urea?
1-(2,4-difluorophenyl)-3-[3-(hydroxymethyl)pentan-3-yl]urea has a molecular weight of 272.30 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[3-(hydroxymethyl)pentan-3-yl]urea is sourced from PubChem (CID 62521942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).