1-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-ethylthiourea

C11H13ClFN3OS — CID 7964165

IUPAC1-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-ethylthiourea
SMILESCCNC(=S)NNC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFN3OS/c1-2-14-11(18)16-15-10(17)6-7-8(12)4-3-5-9(7)13/h3-5H,2,6H2,1H3,(H,15,17)(H2,14,16,18)
InChIKeyUERLSGGDTRQDEX-UHFFFAOYSA-N
MW289.76 g/mol
LogP1.54
Rot. Bonds3

About 1-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-ethylthiourea

1-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-ethylthiourea (PubChem CID 7964165) has the molecular formula C11H13ClFN3OS and a molecular weight of 289.76 g/mol. Its IUPAC name is 1-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-ethylthiourea.

Molecular Properties

Compound Name1-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-ethylthiourea
PubChem CID7964165
Molecular FormulaC11H13ClFN3OS
Molecular Weight289.76 g/mol
Exact Mass289.05
IUPAC Name1-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-ethylthiourea
SMILESCCNC(=S)NNC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFN3OS/c1-2-14-11(18)16-15-10(17)6-7-8(12)4-3-5-9(7)13/h3-5H,2,6H2,1H3,(H,15,17)(H2,14,16,18)
InChIKeyUERLSGGDTRQDEX-UHFFFAOYSA-N
XLogP1.54
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N'-acetyl-2-(2-chloro-6-fluorophenyl)acetohydrazide
CID 30905798
(2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-ethylpropanamide
CID 8750460
N'-[2-(2-chloro-6-fluorophenyl)acetyl]-4-ethylbenzohydrazide
CID 8879631
1-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-(4-sulfamoylphenyl)thiourea
CID 2210659
N'-[2-(2-chloro-6-fluorophenyl)acetyl]benzohydrazide
CID 4811592
N'-[2-(2-chloro-6-fluorophenyl)acetyl]-4-fluorobenzohydrazide
CID 8713670
N-(3-carbamothioylpentan-3-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 61121564
N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81483240
2-(2-chloro-6-fluorophenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]acetohydrazide
CID 30544669
2-(2-chloro-6-fluorophenyl)-N-(2-ethylphenyl)acetamide
CID 839109
2-(2-chloro-6-fluorophenyl)-N-(4-hydroxyphenyl)acetamide
CID 28831544
N-[(2S)-1-aminopropan-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide;hydrochloride
CID 120505968

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-ethylthiourea?
The IUPAC name of 1-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-ethylthiourea (CID 7964165) is 1-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-ethylthiourea.
What is the SMILES notation for 1-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-ethylthiourea?
The canonical SMILES for 1-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-ethylthiourea is CCNC(=S)NNC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-ethylthiourea?
The InChIKey is UERLSGGDTRQDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN3OS/c1-2-14-11(18)16-15-10(17)6-7-8(12)4-3-5-9(7)13/h3-5H,2,6H2,1H3,(H,15,17)(H2,14,16,18).
What are the key properties of 1-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-ethylthiourea?
1-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-ethylthiourea has a molecular weight of 289.76 g/mol, XLogP of 1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-ethylthiourea is sourced from PubChem (CID 7964165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).