N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide

C19H14ClFN2O2S — CID 55675672

IUPACN-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1cc2c(F)cccc2s1
InChIInChI=1S/C19H14ClFN2O2S/c20-13-7-6-11(23-8-2-5-18(23)24)9-15(13)22-19(25)17-10-12-14(21)3-1-4-16(12)26-17/h1,3-4,6-7,9-10H,2,5,8H2,(H,22,25)
InChIKeyJEWZJUGLRVGOEP-UHFFFAOYSA-N
MW388.85 g/mol
LogP5.07
Rot. Bonds3

About N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide

N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 55675672) has the molecular formula C19H14ClFN2O2S and a molecular weight of 388.85 g/mol. Its IUPAC name is N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
PubChem CID55675672
Molecular FormulaC19H14ClFN2O2S
Molecular Weight388.85 g/mol
Exact Mass388.04
IUPAC NameN-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1cc2c(F)cccc2s1
InChIInChI=1S/C19H14ClFN2O2S/c20-13-7-6-11(23-8-2-5-18(23)24)9-15(13)22-19(25)17-10-12-14(21)3-1-4-16(12)26-17/h1,3-4,6-7,9-10H,2,5,8H2,(H,22,25)
InChIKeyJEWZJUGLRVGOEP-UHFFFAOYSA-N
XLogP5.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.85
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-4-fluoro-1-benzothiophene-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

N-(2-chlorophenyl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 31495952
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 60525022
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3,5-dimethoxybenzamide
CID 55676037
2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide
CID 55675758
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-morpholin-4-ylbenzamide
CID 48987924
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylpropanamide
CID 47352609
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 55675256
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 47029857
3-[[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]propanoic acid
CID 122075641
N-(2,6-difluorophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174706
1-[3-[4-(1-benzothiophene-2-carbonyl)piperazine-1-carbonyl]-4-chlorophenyl]pyrrolidin-2-one
CID 166264169
1-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 99835705

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide (CID 55675672) is N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide is O=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1cc2c(F)cccc2s1.
What is the InChIKey of N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is JEWZJUGLRVGOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O2S/c20-13-7-6-11(23-8-2-5-18(23)24)9-15(13)22-19(25)17-10-12-14(21)3-1-4-16(12)26-17/h1,3-4,6-7,9-10H,2,5,8H2,(H,22,25).
What are the key properties of N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide?
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 388.85 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 55675672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).