N-(3-chloro-4-fluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide

C15H15ClFNOS — CID 7959725

IUPACN-(3-chloro-4-fluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(F)c(Cl)c2)sc1C
InChIInChI=1S/C15H15ClFNOS/c1-3-4-10-7-14(20-9(10)2)15(19)18-11-5-6-13(17)12(16)8-11/h5-8H,3-4H2,1-2H3,(H,18,19)
InChIKeyCNGBWSLKGVCSDU-UHFFFAOYSA-N
MW311.81 g/mol
LogP5.05
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide

N-(3-chloro-4-fluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide (PubChem CID 7959725) has the molecular formula C15H15ClFNOS and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide
PubChem CID7959725
Molecular FormulaC15H15ClFNOS
Molecular Weight311.81 g/mol
Exact Mass311.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(F)c(Cl)c2)sc1C
InChIInChI=1S/C15H15ClFNOS/c1-3-4-10-7-14(20-9(10)2)15(19)18-11-5-6-13(17)12(16)8-11/h5-8H,3-4H2,1-2H3,(H,18,19)
InChIKeyCNGBWSLKGVCSDU-UHFFFAOYSA-N
XLogP5.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.81
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluoro-3-nitrophenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 9207791
5-methyl-4-propyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 27699944
N-(3,4-dimethoxyphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 134059555
N-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110859324
N-(5-fluoro-2-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 4828452
4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-fluorobenzoic acid
CID 103791536
N-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 18082264
N-(6-methoxy-3-pyridinyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 9210848
N-(3-chloro-4-fluorophenyl)-4-propyl-1,2,5-oxadiazole-3-carboxamide
CID 123163762
N-(3-chloro-4-fluorophenyl)-5-propyl-1,2-oxazole-3-carboxamide
CID 22427594
N-(2-hydroxy-4-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 9370107
N',N',5-trimethyl-4-propylthiophene-2-carbohydrazide
CID 9179994

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide (CID 7959725) is N-(3-chloro-4-fluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide is CCCc1cc(C(=O)Nc2ccc(F)c(Cl)c2)sc1C.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide?
The InChIKey is CNGBWSLKGVCSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNOS/c1-3-4-10-7-14(20-9(10)2)15(19)18-11-5-6-13(17)12(16)8-11/h5-8H,3-4H2,1-2H3,(H,18,19).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide has a molecular weight of 311.81 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide is sourced from PubChem (CID 7959725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).