3-chloro-N-(2-hydroxypropylcarbamothioyl)benzamide

C11H13ClN2O2S — CID 17161946

IUPAC3-chloro-N-(2-hydroxypropylcarbamothioyl)benzamide
SMILESCC(O)CNC(=S)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClN2O2S/c1-7(15)6-13-11(17)14-10(16)8-3-2-4-9(12)5-8/h2-5,7,15H,6H2,1H3,(H2,13,14,16,17)
InChIKeyOIBBLXLBWSRPES-UHFFFAOYSA-N
MW272.76 g/mol
LogP1.33
Rot. Bonds3

About 3-chloro-N-(2-hydroxypropylcarbamothioyl)benzamide

3-chloro-N-(2-hydroxypropylcarbamothioyl)benzamide (PubChem CID 17161946) has the molecular formula C11H13ClN2O2S and a molecular weight of 272.76 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxypropylcarbamothioyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxypropylcarbamothioyl)benzamide
PubChem CID17161946
Molecular FormulaC11H13ClN2O2S
Molecular Weight272.76 g/mol
Exact Mass272.04
IUPAC Name3-chloro-N-(2-hydroxypropylcarbamothioyl)benzamide
SMILESCC(O)CNC(=S)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClN2O2S/c1-7(15)6-13-11(17)14-10(16)8-3-2-4-9(12)5-8/h2-5,7,15H,6H2,1H3,(H2,13,14,16,17)
InChIKeyOIBBLXLBWSRPES-UHFFFAOYSA-N
XLogP1.33
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxypropylcarbamothioyl)-3-(2-methylpropoxy)benzamide
CID 17161995
N-(2-hydroxypropylcarbamothioyl)-4-propan-2-ylbenzamide
CID 17177805
N-(2-hydroxypropylcarbamothioyl)-3-(3-methylbutoxy)benzamide
CID 17161969
3-chloro-N-(methylcarbamoylcarbamothioyl)benzamide
CID 2768727
3-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide
CID 2279775
3-chloro-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide
CID 4635057
3-chloro-N-(dimethylcarbamothioyl)benzamide
CID 2302012
1-[(3-chlorobenzoyl)amino]-3-ethylthiourea
CID 4029166
3-chloro-N-(3-oxobutanoyl)benzamide
CID 86030808
3-[(3-chlorobenzoyl)carbamothioylamino]-N,N-dimethylbenzamide
CID 17232103
3-chloro-N-propan-2-ylbenzamide
CID 669184
2-fluoro-N-(2-hydroxypropylcarbamothioyl)benzamide
CID 17161957

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxypropylcarbamothioyl)benzamide?
The IUPAC name of 3-chloro-N-(2-hydroxypropylcarbamothioyl)benzamide (CID 17161946) is 3-chloro-N-(2-hydroxypropylcarbamothioyl)benzamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxypropylcarbamothioyl)benzamide?
The canonical SMILES for 3-chloro-N-(2-hydroxypropylcarbamothioyl)benzamide is CC(O)CNC(=S)NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-hydroxypropylcarbamothioyl)benzamide?
The InChIKey is OIBBLXLBWSRPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2S/c1-7(15)6-13-11(17)14-10(16)8-3-2-4-9(12)5-8/h2-5,7,15H,6H2,1H3,(H2,13,14,16,17).
What are the key properties of 3-chloro-N-(2-hydroxypropylcarbamothioyl)benzamide?
3-chloro-N-(2-hydroxypropylcarbamothioyl)benzamide has a molecular weight of 272.76 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxypropylcarbamothioyl)benzamide is sourced from PubChem (CID 17161946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).