3-chloro-N-[4-[3-(4-chlorophenyl)butanoyl]thiadiazol-5-yl]benzamide

C19H15Cl2N3O2S — CID 165073098

IUPAC3-chloro-N-[4-[3-(4-chlorophenyl)butanoyl]thiadiazol-5-yl]benzamide
SMILESCC(CC(=O)c1nnsc1NC(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C19H15Cl2N3O2S/c1-11(12-5-7-14(20)8-6-12)9-16(25)17-19(27-24-23-17)22-18(26)13-3-2-4-15(21)10-13/h2-8,10-11H,9H2,1H3,(H,22,26)
InChIKeyTVYLQLMIFBODMI-UHFFFAOYSA-N
MW420.32 g/mol
LogP5.47
Rot. Bonds6

About 3-chloro-N-[4-[3-(4-chlorophenyl)butanoyl]thiadiazol-5-yl]benzamide

3-chloro-N-[4-[3-(4-chlorophenyl)butanoyl]thiadiazol-5-yl]benzamide (PubChem CID 165073098) has the molecular formula C19H15Cl2N3O2S and a molecular weight of 420.32 g/mol. Its IUPAC name is 3-chloro-N-[4-[3-(4-chlorophenyl)butanoyl]thiadiazol-5-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[3-(4-chlorophenyl)butanoyl]thiadiazol-5-yl]benzamide
PubChem CID165073098
Molecular FormulaC19H15Cl2N3O2S
Molecular Weight420.32 g/mol
Exact Mass419.03
IUPAC Name3-chloro-N-[4-[3-(4-chlorophenyl)butanoyl]thiadiazol-5-yl]benzamide
SMILESCC(CC(=O)c1nnsc1NC(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C19H15Cl2N3O2S/c1-11(12-5-7-14(20)8-6-12)9-16(25)17-19(27-24-23-17)22-18(26)13-3-2-4-15(21)10-13/h2-8,10-11H,9H2,1H3,(H,22,26)
InChIKeyTVYLQLMIFBODMI-UHFFFAOYSA-N
XLogP5.47
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.32
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-chlorobenzoyl)amino]-N-[2-(3-chlorophenyl)propan-2-yl]thiadiazole-4-carboxamide
CID 155256824
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632
3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108571437
3-chloro-N-propan-2-ylbenzamide
CID 669184
3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 27209859
3-chloro-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1390679
3-chloro-N-(1-methyltriazol-4-yl)benzamide
CID 112535369
3-chloro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
CID 113024131
N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-3-chlorobenzohydrazide
CID 8616616
3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide
CID 24537992
3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 82811022
N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide
CID 54104367

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[3-(4-chlorophenyl)butanoyl]thiadiazol-5-yl]benzamide?
The IUPAC name of 3-chloro-N-[4-[3-(4-chlorophenyl)butanoyl]thiadiazol-5-yl]benzamide (CID 165073098) is 3-chloro-N-[4-[3-(4-chlorophenyl)butanoyl]thiadiazol-5-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[3-(4-chlorophenyl)butanoyl]thiadiazol-5-yl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[3-(4-chlorophenyl)butanoyl]thiadiazol-5-yl]benzamide is CC(CC(=O)c1nnsc1NC(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-N-[4-[3-(4-chlorophenyl)butanoyl]thiadiazol-5-yl]benzamide?
The InChIKey is TVYLQLMIFBODMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O2S/c1-11(12-5-7-14(20)8-6-12)9-16(25)17-19(27-24-23-17)22-18(26)13-3-2-4-15(21)10-13/h2-8,10-11H,9H2,1H3,(H,22,26).
What are the key properties of 3-chloro-N-[4-[3-(4-chlorophenyl)butanoyl]thiadiazol-5-yl]benzamide?
3-chloro-N-[4-[3-(4-chlorophenyl)butanoyl]thiadiazol-5-yl]benzamide has a molecular weight of 420.32 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[3-(4-chlorophenyl)butanoyl]thiadiazol-5-yl]benzamide is sourced from PubChem (CID 165073098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).