5-chloro-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide

C15H13Cl2FN2O2S — CID 163289874

IUPAC5-chloro-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H13Cl2FN2O2S/c1-15(2,20-13(21)11-5-6-12(17)23-11)14(22)19-8-3-4-9(16)10(18)7-8/h3-7H,1-2H3,(H,19,22)(H,20,21)
InChIKeyWBCVHKYXJBIGOE-UHFFFAOYSA-N
MW375.25 g/mol
LogP4.34
Rot. Bonds4

About 5-chloro-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide

5-chloro-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 163289874) has the molecular formula C15H13Cl2FN2O2S and a molecular weight of 375.25 g/mol. Its IUPAC name is 5-chloro-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID163289874
Molecular FormulaC15H13Cl2FN2O2S
Molecular Weight375.25 g/mol
Exact Mass374.01
IUPAC Name5-chloro-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H13Cl2FN2O2S/c1-15(2,20-13(21)11-5-6-12(17)23-11)14(22)19-8-3-4-9(16)10(18)7-8/h3-7H,1-2H3,(H,19,22)(H,20,21)
InChIKeyWBCVHKYXJBIGOE-UHFFFAOYSA-N
XLogP4.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophene-2-carboxylic acid (4-chloro-phenyl)-amide
CID 728651
N-(3-chlorophenyl)thiophene-2-carboxamide
CID 531925
2,5-dichloro-N-(2,4-difluorophenyl)thiophene-3-carboxamide
CID 2805353
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
5-chloro-N-[2-(methylsulfanyl)phenyl]thiophene-2-carboxamide
CID 1245556
N-(5-amino-2-chlorophenyl)thiophene-2-carboxamide
CID 655790
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 24982535
2,5-dichloro-N-(2-fluorophenyl)thiophene-3-carboxamide
CID 2805352
2,5-dichloro-N-(4-fluorophenyl)thiophene-3-carboxamide
CID 7120755
5-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 831669
US11691960, Example 1
CID 163289867
N-(3-chloro-4-fluorophenyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 4851613

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 163289874) is 5-chloro-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of 5-chloro-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is WBCVHKYXJBIGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O2S/c1-15(2,20-13(21)11-5-6-12(17)23-11)14(22)19-8-3-4-9(16)10(18)7-8/h3-7H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 5-chloro-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
5-chloro-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 375.25 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 163289874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).