2-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)sulfanylacetamide;hydrochloride

C19H14Cl3FN2OS — CID 50898897

IUPAC2-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)sulfanylacetamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Cl)cn1)C(Sc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H13Cl2FN2OS.ClH/c20-13-3-1-12(2-4-13)18(26-16-8-6-15(22)7-9-16)19(25)24-17-10-5-14(21)11-23-17;/h1-11,18H,(H,23,24,25);1H
InChIKeyZEQHQWPCJGPQRK-UHFFFAOYSA-N
MW443.76 g/mol
LogP6.42
Rot. Bonds5

About 2-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)sulfanylacetamide;hydrochloride

2-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)sulfanylacetamide;hydrochloride (PubChem CID 50898897) has the molecular formula C19H14Cl3FN2OS and a molecular weight of 443.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)sulfanylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)sulfanylacetamide;hydrochloride
PubChem CID50898897
Molecular FormulaC19H14Cl3FN2OS
Molecular Weight443.76 g/mol
Exact Mass441.99
IUPAC Name2-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)sulfanylacetamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Cl)cn1)C(Sc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H13Cl2FN2OS.ClH/c20-13-3-1-12(2-4-13)18(26-16-8-6-15(22)7-9-16)19(25)24-17-10-5-14(21)11-23-17;/h1-11,18H,(H,23,24,25);1H
InChIKeyZEQHQWPCJGPQRK-UHFFFAOYSA-N
XLogP6.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.76
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide;hydrochloride
CID 50899014
N-(5-chloro-2-pyridinyl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712703
N-(5-chloro-2-pyridinyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
CID 23098794
(2R)-N-(5-chloro-2-pyridinyl)-2-(4-fluorophenoxy)propanamide
CID 42561555
N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 19299242
N-(5-chloro-2-pyridinyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide
CID 46825569
N-[(Z)-3-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxo-1-phenylethyl]sulfanylanilino]-1-(2,4-dichlorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19713841
N-[(Z)-3-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxo-1-phenylethyl]sulfanylanilino]-3-oxo-1-(4-phenylphenyl)prop-1-en-2-yl]benzamide
CID 19714981
N-(5-chloro-2-pyridinyl)-2-fluorobenzamide;hydrochloride
CID 163325720
N-[(Z)-3-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxo-1-phenylethyl]sulfanylanilino]-1-(2,3-dichlorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19713784
2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenyl-N-pyridin-2-ylacetamide
CID 23098793
(2S)-2-amino-N-(5-chloro-2-pyridinyl)propanamide
CID 61146165

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)sulfanylacetamide;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)sulfanylacetamide;hydrochloride (CID 50898897) is 2-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)sulfanylacetamide;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)sulfanylacetamide;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)sulfanylacetamide;hydrochloride is Cl.O=C(Nc1ccc(Cl)cn1)C(Sc1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)sulfanylacetamide;hydrochloride?
The InChIKey is ZEQHQWPCJGPQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2FN2OS.ClH/c20-13-3-1-12(2-4-13)18(26-16-8-6-15(22)7-9-16)19(25)24-17-10-5-14(21)11-23-17;/h1-11,18H,(H,23,24,25);1H.
What are the key properties of 2-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)sulfanylacetamide;hydrochloride?
2-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)sulfanylacetamide;hydrochloride has a molecular weight of 443.76 g/mol, XLogP of 6.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)sulfanylacetamide;hydrochloride is sourced from PubChem (CID 50898897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).