1-(2-fluoro-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea

C13H19FN2O3 — CID 110020612

IUPAC1-(2-fluoro-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
SMILESCc1ccc(F)c(NC(=O)NCCCOCCO)c1
InChIInChI=1S/C13H19FN2O3/c1-10-3-4-11(14)12(9-10)16-13(18)15-5-2-7-19-8-6-17/h3-4,9,17H,2,5-8H2,1H3,(H2,15,16,18)
InChIKeyKVDLJUHKUCRLPV-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.65
Rot. Bonds7

About 1-(2-fluoro-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea

1-(2-fluoro-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea (PubChem CID 110020612) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
PubChem CID110020612
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC Name1-(2-fluoro-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
SMILESCc1ccc(F)c(NC(=O)NCCCOCCO)c1
InChIInChI=1S/C13H19FN2O3/c1-10-3-4-11(14)12(9-10)16-13(18)15-5-2-7-19-8-6-17/h3-4,9,17H,2,5-8H2,1H3,(H2,15,16,18)
InChIKeyKVDLJUHKUCRLPV-UHFFFAOYSA-N
XLogP1.65
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110021364
1-(2,4-dichlorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110019202
2-hydroxyethyl N-(2-fluoro-5-methylphenyl)carbamate
CID 79346664
1-(2-chloro-5-fluorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110021221
1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea
CID 47193946
1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea
CID 24588095
1-(3-chloro-2-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110020567
1-[(3-fluoro-4-methylphenyl)methyl]-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110019204
methyl 3-[3-(cyclopropylmethoxy)propylcarbamoylamino]-4-fluorobenzoate
CID 86994017
1-[2-(2-hydroxyethoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 108892530
1-(2-fluoro-5-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111572929
2-(2-fluoro-5-methylanilino)-N-(3-methoxypropyl)propanamide
CID 43122831

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea (CID 110020612) is 1-(2-fluoro-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea is Cc1ccc(F)c(NC(=O)NCCCOCCO)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea?
The InChIKey is KVDLJUHKUCRLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c1-10-3-4-11(14)12(9-10)16-13(18)15-5-2-7-19-8-6-17/h3-4,9,17H,2,5-8H2,1H3,(H2,15,16,18).
What are the key properties of 1-(2-fluoro-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea?
1-(2-fluoro-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea has a molecular weight of 270.30 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea is sourced from PubChem (CID 110020612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).