3-[(3-chlorophenyl)methoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide

C17H15ClN2O2S — CID 60572586

IUPAC3-[(3-chlorophenyl)methoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESO=C(NC1=NCCS1)c1cccc(OCc2cccc(Cl)c2)c1
InChIInChI=1S/C17H15ClN2O2S/c18-14-5-1-3-12(9-14)11-22-15-6-2-4-13(10-15)16(21)20-17-19-7-8-23-17/h1-6,9-10H,7-8,11H2,(H,19,20,21)
InChIKeyFVQLCSKUQNONAC-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.75
Rot. Bonds4

About 3-[(3-chlorophenyl)methoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide

3-[(3-chlorophenyl)methoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide (PubChem CID 60572586) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
PubChem CID60572586
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC Name3-[(3-chlorophenyl)methoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESO=C(NC1=NCCS1)c1cccc(OCc2cccc(Cl)c2)c1
InChIInChI=1S/C17H15ClN2O2S/c18-14-5-1-3-12(9-14)11-22-15-6-2-4-13(10-15)16(21)20-17-19-7-8-23-17/h1-6,9-10H,7-8,11H2,(H,19,20,21)
InChIKeyFVQLCSKUQNONAC-UHFFFAOYSA-N
XLogP3.75
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)methoxy]benzamide
CID 119521607
3-[(3-chlorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide
CID 119449796
N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide
CID 4505668
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514
3-chloro-N-[3-(thiophen-3-ylmethoxy)phenyl]benzamide
CID 174587955
O-methyl 3-[(3-chlorophenyl)methoxy]benzenecarbothioate
CID 19768753
3-[(3-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329169
N-(5-chloro-1,3-benzothiazol-2-yl)-3-(pyridin-3-ylmethoxy)benzamide
CID 112832632
3-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91682824
N-(3-chloro-4-fluorophenyl)-3-phenylmethoxybenzamide
CID 1074686
3-[(3,4-dichlorophenyl)methoxy]-N-(4-ethylphenyl)benzamide
CID 8814622
3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19398867

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-[(3-chlorophenyl)methoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide (CID 60572586) is 3-[(3-chlorophenyl)methoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)methoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-[(3-chlorophenyl)methoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide is O=C(NC1=NCCS1)c1cccc(OCc2cccc(Cl)c2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The InChIKey is FVQLCSKUQNONAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c18-14-5-1-3-12(9-14)11-22-15-6-2-4-13(10-15)16(21)20-17-19-7-8-23-17/h1-6,9-10H,7-8,11H2,(H,19,20,21).
What are the key properties of 3-[(3-chlorophenyl)methoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
3-[(3-chlorophenyl)methoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide has a molecular weight of 346.84 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 60572586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).