1-(2-chloro-5-fluorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea

C12H16ClFN2O3 — CID 110021221

IUPAC1-(2-chloro-5-fluorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
SMILESO=C(NCCCOCCO)Nc1cc(F)ccc1Cl
InChIInChI=1S/C12H16ClFN2O3/c13-10-3-2-9(14)8-11(10)16-12(18)15-4-1-6-19-7-5-17/h2-3,8,17H,1,4-7H2,(H2,15,16,18)
InChIKeyFHKLQAJTOGDOJZ-UHFFFAOYSA-N
MW290.72 g/mol
LogP2.00
Rot. Bonds7

About 1-(2-chloro-5-fluorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea

1-(2-chloro-5-fluorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea (PubChem CID 110021221) has the molecular formula C12H16ClFN2O3 and a molecular weight of 290.72 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
PubChem CID110021221
Molecular FormulaC12H16ClFN2O3
Molecular Weight290.72 g/mol
Exact Mass290.08
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
SMILESO=C(NCCCOCCO)Nc1cc(F)ccc1Cl
InChIInChI=1S/C12H16ClFN2O3/c13-10-3-2-9(14)8-11(10)16-12(18)15-4-1-6-19-7-5-17/h2-3,8,17H,1,4-7H2,(H2,15,16,18)
InChIKeyFHKLQAJTOGDOJZ-UHFFFAOYSA-N
XLogP2.00
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.72
LogP ≤ 52.00
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
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110021320
1-(3-chloro-2-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110020567
1-(2-fluoro-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110020612
4-chloro-3-(3-propoxypropylcarbamoylamino)benzoic acid
CID 82939864
1-(2-chloro-5-fluorophenyl)-3-(3-ethoxypropyl)thiourea
CID 113231125
1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea
CID 47193946
5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide
CID 113364744
1-(3-butoxypropyl)-3-(2-chlorophenyl)urea
CID 78793865
1-(2,4-difluorophenyl)-3-[3-(2-phenylethoxy)propyl]urea
CID 47050815
1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea
CID 107302722

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea (CID 110021221) is 1-(2-chloro-5-fluorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea is O=C(NCCCOCCO)Nc1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea?
The InChIKey is FHKLQAJTOGDOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O3/c13-10-3-2-9(14)8-11(10)16-12(18)15-4-1-6-19-7-5-17/h2-3,8,17H,1,4-7H2,(H2,15,16,18).
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea?
1-(2-chloro-5-fluorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea has a molecular weight of 290.72 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea is sourced from PubChem (CID 110021221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).