3-chloro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide

C19H16ClFN2O2S — CID 8643446

IUPAC3-chloro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(CNC(=O)c1sc2ccccc2c1Cl)NCCc1ccccc1F
InChIInChI=1S/C19H16ClFN2O2S/c20-17-13-6-2-4-8-15(13)26-18(17)19(25)23-11-16(24)22-10-9-12-5-1-3-7-14(12)21/h1-8H,9-11H2,(H,22,24)(H,23,25)
InChIKeyLDOKHQOJYTUPTM-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.78
Rot. Bonds6

About 3-chloro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide (PubChem CID 8643446) has the molecular formula C19H16ClFN2O2S and a molecular weight of 390.87 g/mol. Its IUPAC name is 3-chloro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
PubChem CID8643446
Molecular FormulaC19H16ClFN2O2S
Molecular Weight390.87 g/mol
Exact Mass390.06
IUPAC Name3-chloro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(CNC(=O)c1sc2ccccc2c1Cl)NCCc1ccccc1F
InChIInChI=1S/C19H16ClFN2O2S/c20-17-13-6-2-4-8-15(13)26-18(17)19(25)23-11-16(24)22-10-9-12-5-1-3-7-14(12)21/h1-8H,9-11H2,(H,22,24)(H,23,25)
InChIKeyLDOKHQOJYTUPTM-UHFFFAOYSA-N
XLogP3.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]ethylsulfanyl]acetic acid
CID 120526632
2-fluoro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 579782
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 1080679
3-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 31138609
4-bromo-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 8643346
N-benzyl-3-chloro-1-benzothiophene-2-carboxamide
CID 675718
N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112993331
3-chloro-1-benzothiophene-2-carbohydrazide
CID 606925
(2S)-4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107833904
ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 2166794
(2-methylphenyl)methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 16577291

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide (CID 8643446) is 3-chloro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide is O=C(CNC(=O)c1sc2ccccc2c1Cl)NCCc1ccccc1F.
What is the InChIKey of 3-chloro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is LDOKHQOJYTUPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2S/c20-17-13-6-2-4-8-15(13)26-18(17)19(25)23-11-16(24)22-10-9-12-5-1-3-7-14(12)21/h1-8H,9-11H2,(H,22,24)(H,23,25).
What are the key properties of 3-chloro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 8643446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).