2-[2-(4-chlorophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide

C19H16ClN3O3S — CID 17361278

IUPAC2-[2-(4-chlorophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)Nc1nccs1
InChIInChI=1S/C19H16ClN3O3S/c1-12(26-14-8-6-13(20)7-9-14)17(24)22-16-5-3-2-4-15(16)18(25)23-19-21-10-11-27-19/h2-12H,1H3,(H,22,24)(H,21,23,25)
InChIKeyWPCNFYIGLLTLQE-UHFFFAOYSA-N
MW401.88 g/mol
LogP4.45
Rot. Bonds6

About 2-[2-(4-chlorophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide

2-[2-(4-chlorophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 17361278) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID17361278
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC Name2-[2-(4-chlorophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)Nc1nccs1
InChIInChI=1S/C19H16ClN3O3S/c1-12(26-14-8-6-13(20)7-9-14)17(24)22-16-5-3-2-4-15(16)18(25)23-19-21-10-11-27-19/h2-12H,1H3,(H,22,24)(H,21,23,25)
InChIKeyWPCNFYIGLLTLQE-UHFFFAOYSA-N
XLogP4.45
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361272
2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
CID 4279674
2-(2-methylpentanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 17358961
(2R)-2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 719476
2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 63107522
2-[2-(4-chlorophenoxy)propanoylamino]-N-prop-2-enylbenzamide
CID 4944066
2-[2-(4-chlorophenoxy)propanoylamino]-N-(2-phenylethyl)benzamide
CID 4944061
2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 2996131
(2R)-2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 7380218
2-[(2-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361063
2-(4-methoxyanilino)-N-(1,3-thiazol-2-yl)benzamide
CID 52612392
3,5-dimethoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361080

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-[2-(4-chlorophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide (CID 17361278) is 2-[2-(4-chlorophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-[2-(4-chlorophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide is CC(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)Nc1nccs1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is WPCNFYIGLLTLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c1-12(26-14-8-6-13(20)7-9-14)17(24)22-16-5-3-2-4-15(16)18(25)23-19-21-10-11-27-19/h2-12H,1H3,(H,22,24)(H,21,23,25).
What are the key properties of 2-[2-(4-chlorophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide?
2-[2-(4-chlorophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 401.88 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 17361278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).