2-chloro-4-fluoro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide

C18H20ClFN2OS — CID 3491857

IUPAC2-chloro-4-fluoro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCC(NC(=O)c1ccc(F)cc1Cl)C(c1cccs1)N1CCCC1
InChIInChI=1S/C18H20ClFN2OS/c1-12(21-18(23)14-7-6-13(20)11-15(14)19)17(16-5-4-10-24-16)22-8-2-3-9-22/h4-7,10-12,17H,2-3,8-9H2,1H3,(H,21,23)
InChIKeyQWEKCQFTYATLDE-UHFFFAOYSA-N
MW366.89 g/mol
LogP4.50
Rot. Bonds5

About 2-chloro-4-fluoro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide

2-chloro-4-fluoro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide (PubChem CID 3491857) has the molecular formula C18H20ClFN2OS and a molecular weight of 366.89 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide
PubChem CID3491857
Molecular FormulaC18H20ClFN2OS
Molecular Weight366.89 g/mol
Exact Mass366.10
IUPAC Name2-chloro-4-fluoro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCC(NC(=O)c1ccc(F)cc1Cl)C(c1cccs1)N1CCCC1
InChIInChI=1S/C18H20ClFN2OS/c1-12(21-18(23)14-7-6-13(20)11-15(14)19)17(16-5-4-10-24-16)22-8-2-3-9-22/h4-7,10-12,17H,2-3,8-9H2,1H3,(H,21,23)
InChIKeyQWEKCQFTYATLDE-UHFFFAOYSA-N
XLogP4.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Thiophenecarboxamide,5-chloro-N-[(1R,2S)-2-[[4-[1-(1-pyrrolidinylmethyl)cyclopropyl]benzoyl]amino]cyclopentyl]-
CID 44432538
5-chloro-N-((1R,2S)-2-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)benzamido)cyclohexyl)thiophene-2-carboxamide
CID 44432539
4-chloro-N-[2-(2-thienyl)ethyl]benzamide
CID 2732263
Dipeptidyl nitrile inhibitor, 22
CID 44224132
N-[(1R)-2-amino-1-phenylethyl]-5-(2-chlorophenyl)-2-methylthiophene-3-carboxamide
CID 129012089
N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2481080
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide
CID 2532766
2-chloro-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 9507811
N-[1-(4-chlorophenyl)ethyl]-2-thiophenecarboxamide
CID 11838961
3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 4035024
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-chlorophenyl)thiophene-2-carboxamide
CID 18180543
Proline scaffold, 24
CID 42618122

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide (CID 3491857) is 2-chloro-4-fluoro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide is CC(NC(=O)c1ccc(F)cc1Cl)C(c1cccs1)N1CCCC1.
What is the InChIKey of 2-chloro-4-fluoro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide?
The InChIKey is QWEKCQFTYATLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2OS/c1-12(21-18(23)14-7-6-13(20)11-15(14)19)17(16-5-4-10-24-16)22-8-2-3-9-22/h4-7,10-12,17H,2-3,8-9H2,1H3,(H,21,23).
What are the key properties of 2-chloro-4-fluoro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide?
2-chloro-4-fluoro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide has a molecular weight of 366.89 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide is sourced from PubChem (CID 3491857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).