N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-methylthiophene-2-carboxamide

C15H15ClFNOS — CID 86949000

IUPACN-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC(C)(C)c1ccc(F)cc1Cl
InChIInChI=1S/C15H15ClFNOS/c1-9-6-7-20-13(9)14(19)18-15(2,3)11-5-4-10(17)8-12(11)16/h4-8H,1-3H3,(H,18,19)
InChIKeyWITWFJRFNRXACG-UHFFFAOYSA-N
MW311.81 g/mol
LogP4.51
Rot. Bonds3

About N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-methylthiophene-2-carboxamide

N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-methylthiophene-2-carboxamide (PubChem CID 86949000) has the molecular formula C15H15ClFNOS and a molecular weight of 311.81 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-methylthiophene-2-carboxamide
PubChem CID86949000
Molecular FormulaC15H15ClFNOS
Molecular Weight311.81 g/mol
Exact Mass311.05
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC(C)(C)c1ccc(F)cc1Cl
InChIInChI=1S/C15H15ClFNOS/c1-9-6-7-20-13(9)14(19)18-15(2,3)11-5-4-10(17)8-12(11)16/h4-8H,1-3H3,(H,18,19)
InChIKeyWITWFJRFNRXACG-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2,3-difluorobenzamide
CID 86948958
N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(2-fluorophenyl)acetamide
CID 86948842
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylthiophene-2-carboxamide
CID 103895410
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 2546301
N-(3,5-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 27906837
N-[2-(2,4-dichlorophenyl)propan-2-yl]-2-(4-fluorophenyl)acetamide
CID 110440041
5-[[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]methyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 86949909
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2502457
N-[2-(2,4-dichlorophenyl)propan-2-yl]-3,4-difluorobenzamide
CID 110445693
N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-(ethylsulfamoyl)benzamide
CID 86949396
N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 86949406
3-(benzenesulfonylmethyl)-N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]benzamide
CID 86948895

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-methylthiophene-2-carboxamide (CID 86949000) is N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NC(C)(C)c1ccc(F)cc1Cl.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-methylthiophene-2-carboxamide?
The InChIKey is WITWFJRFNRXACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNOS/c1-9-6-7-20-13(9)14(19)18-15(2,3)11-5-4-10(17)8-12(11)16/h4-8H,1-3H3,(H,18,19).
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-methylthiophene-2-carboxamide?
N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-methylthiophene-2-carboxamide has a molecular weight of 311.81 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 86949000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).