1-(3-chloro-2-fluorophenyl)-3-(1-thiophen-2-ylethyl)urea

C13H12ClFN2OS — CID 47133061

IUPAC1-(3-chloro-2-fluorophenyl)-3-(1-thiophen-2-ylethyl)urea
SMILESCC(NC(=O)Nc1cccc(Cl)c1F)c1cccs1
InChIInChI=1S/C13H12ClFN2OS/c1-8(11-6-3-7-19-11)16-13(18)17-10-5-2-4-9(14)12(10)15/h2-8H,1H3,(H2,16,17,18)
InChIKeyJLRRYWVEQLAJEV-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.42
Rot. Bonds3

About 1-(3-chloro-2-fluorophenyl)-3-(1-thiophen-2-ylethyl)urea

1-(3-chloro-2-fluorophenyl)-3-(1-thiophen-2-ylethyl)urea (PubChem CID 47133061) has the molecular formula C13H12ClFN2OS and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-(1-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-(1-thiophen-2-ylethyl)urea
PubChem CID47133061
Molecular FormulaC13H12ClFN2OS
Molecular Weight298.77 g/mol
Exact Mass298.03
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-(1-thiophen-2-ylethyl)urea
SMILESCC(NC(=O)Nc1cccc(Cl)c1F)c1cccs1
InChIInChI=1S/C13H12ClFN2OS/c1-8(11-6-3-7-19-11)16-13(18)17-10-5-2-4-9(14)12(10)15/h2-8H,1H3,(H2,16,17,18)
InChIKeyJLRRYWVEQLAJEV-UHFFFAOYSA-N
XLogP4.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 61194258
1-(5-chloro-2-methylphenyl)-3-(1-thiophen-2-ylethyl)urea
CID 17181621
1-(5-chloro-2,4-dimethoxyphenyl)-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 29023179
1-phenyl-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 1158599
1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 1158597
(2R)-2-[(3-chloro-2-fluorophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 103927583
2-chloro-N-(1-thiophen-2-ylethyl)benzamide
CID 42907549
1-(3-chloro-2-fluorophenyl)-3-(dicyclopropylmethyl)urea
CID 47198534
1-(3-fluoro-2-pyridinyl)-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 99840259
2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]propanediamide
CID 36974814
N-(2,6-dichlorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide
CID 81407882
2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]thiophene-3-carboxylic acid
CID 81409009

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(1-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(1-thiophen-2-ylethyl)urea (CID 47133061) is 1-(3-chloro-2-fluorophenyl)-3-(1-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-(1-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-(1-thiophen-2-ylethyl)urea is CC(NC(=O)Nc1cccc(Cl)c1F)c1cccs1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-(1-thiophen-2-ylethyl)urea?
The InChIKey is JLRRYWVEQLAJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2OS/c1-8(11-6-3-7-19-11)16-13(18)17-10-5-2-4-9(14)12(10)15/h2-8H,1H3,(H2,16,17,18).
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-(1-thiophen-2-ylethyl)urea?
1-(3-chloro-2-fluorophenyl)-3-(1-thiophen-2-ylethyl)urea has a molecular weight of 298.77 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-(1-thiophen-2-ylethyl)urea is sourced from PubChem (CID 47133061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).