5-chloro-N-[2-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]thiophene-2-carboxamide

C19H20ClFN2OS — CID 19963597

IUPAC5-chloro-N-[2-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCN1CC2CC(c3ccc(F)cc3)C2C1)c1ccc(Cl)s1
InChIInChI=1S/C19H20ClFN2OS/c20-18-6-5-17(25-18)19(24)22-7-8-23-10-13-9-15(16(13)11-23)12-1-3-14(21)4-2-12/h1-6,13,15-16H,7-11H2,(H,22,24)
InChIKeyPAWSAOKROFAPLA-UHFFFAOYSA-N
MW378.90 g/mol
LogP4.01
Rot. Bonds5

About 5-chloro-N-[2-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]thiophene-2-carboxamide

5-chloro-N-[2-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]thiophene-2-carboxamide (PubChem CID 19963597) has the molecular formula C19H20ClFN2OS and a molecular weight of 378.90 g/mol. Its IUPAC name is 5-chloro-N-[2-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]thiophene-2-carboxamide
PubChem CID19963597
Molecular FormulaC19H20ClFN2OS
Molecular Weight378.90 g/mol
Exact Mass378.10
IUPAC Name5-chloro-N-[2-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCN1CC2CC(c3ccc(F)cc3)C2C1)c1ccc(Cl)s1
InChIInChI=1S/C19H20ClFN2OS/c20-18-6-5-17(25-18)19(24)22-7-8-23-10-13-9-15(16(13)11-23)12-1-3-14(21)4-2-12/h1-6,13,15-16H,7-11H2,(H,22,24)
InChIKeyPAWSAOKROFAPLA-UHFFFAOYSA-N
XLogP4.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[2-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Thiophenecarboxamide,5-chloro-N-[(1R,2S)-2-[[4-[1-(1-pyrrolidinylmethyl)cyclopropyl]benzoyl]amino]cyclopentyl]-
CID 44432538
N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclobutylthiophene-2-carboxamide
CID 44443781
N-[2-(azepan-1-yl)-2-(thiophen-3-yl)ethyl]-2-chloro-6-fluorobenzamide
CID 16931831
2-chloro-4-fluoro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide
CID 3491857
N-[(R)-2-(1-pyrrolidinyl)-2-(3-thienyl)ethyl]m-chlorobenzamide
CID 40847564
4-{[(5-Chloro-2-thienyl)methyl]amino}-1-(3-fluorobenzyl)-2-pyrrolidinone
CID 45199491
5-chloro-N-[1-(3-phenylpropyl)-3-piperidinyl]-2-thiophenecarboxamide
CID 45206214
2-(5-chlorothiophen-2-yl)-N-(piperidin-4-ylmethyl)benzamide
CID 46890924
5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzamide
CID 47024534
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 47102174
N~2~-(2-chloro-4-fluorobenzyl)-5-isopropyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxamide
CID 53171014
N~2~-(3-chloro-4-fluorobenzyl)-5-isopropyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxamide
CID 53171074

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]thiophene-2-carboxamide (CID 19963597) is 5-chloro-N-[2-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]thiophene-2-carboxamide is O=C(NCCN1CC2CC(c3ccc(F)cc3)C2C1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is PAWSAOKROFAPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2OS/c20-18-6-5-17(25-18)19(24)22-7-8-23-10-13-9-15(16(13)11-23)12-1-3-14(21)4-2-12/h1-6,13,15-16H,7-11H2,(H,22,24).
What are the key properties of 5-chloro-N-[2-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]thiophene-2-carboxamide?
5-chloro-N-[2-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 378.90 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 19963597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).