1-(5-chloro-2-fluorophenyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea

C15H22ClFN2O2 — CID 111521056

IUPAC1-(5-chloro-2-fluorophenyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea
SMILESCC(C)CC(CCO)CNC(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C15H22ClFN2O2/c1-10(2)7-11(5-6-20)9-18-15(21)19-14-8-12(16)3-4-13(14)17/h3-4,8,10-11,20H,5-7,9H2,1-2H3,(H2,18,19,21)
InChIKeyHILFCJWCJCERDS-UHFFFAOYSA-N
MW316.80 g/mol
LogP3.65
Rot. Bonds7

About 1-(5-chloro-2-fluorophenyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea

1-(5-chloro-2-fluorophenyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea (PubChem CID 111521056) has the molecular formula C15H22ClFN2O2 and a molecular weight of 316.80 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea
PubChem CID111521056
Molecular FormulaC15H22ClFN2O2
Molecular Weight316.80 g/mol
Exact Mass316.14
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea
SMILESCC(C)CC(CCO)CNC(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C15H22ClFN2O2/c1-10(2)7-11(5-6-20)9-18-15(21)19-14-8-12(16)3-4-13(14)17/h3-4,8,10-11,20H,5-7,9H2,1-2H3,(H2,18,19,21)
InChIKeyHILFCJWCJCERDS-UHFFFAOYSA-N
XLogP3.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.80
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(4-chloro-2-fluorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide
CID 111521496
3-acetamido-4-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111697564
1-(5-bromo-2-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111474795
N'-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide
CID 111521505
2,4-dichloro-5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662542
4-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-methoxybutanoic acid
CID 103158599
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide
CID 111662419
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea
CID 111503800
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(5-methylthiophen-2-yl)urea
CID 111499032
1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709965
5-fluoro-2-hydroxy-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111860779
3-[(5-chloro-2-fluorophenyl)carbamoylamino]butanoic acid
CID 61199394

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea (CID 111521056) is 1-(5-chloro-2-fluorophenyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea is CC(C)CC(CCO)CNC(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea?
The InChIKey is HILFCJWCJCERDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2O2/c1-10(2)7-11(5-6-20)9-18-15(21)19-14-8-12(16)3-4-13(14)17/h3-4,8,10-11,20H,5-7,9H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea?
1-(5-chloro-2-fluorophenyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea has a molecular weight of 316.80 g/mol, XLogP of 3.65, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea is sourced from PubChem (CID 111521056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).