2-chloro-4-nitro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide

C16H10ClN3O3S — CID 8795566

IUPAC2-chloro-4-nitro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C16H10ClN3O3S/c17-14-9-12(20(22)23)5-6-13(14)15(21)19-11-3-1-10(2-4-11)16-18-7-8-24-16/h1-9H,(H,19,21)
InChIKeyGWSRXCFLIGRXBO-UHFFFAOYSA-N
MW359.79 g/mol
LogP4.62
Rot. Bonds4

About 2-chloro-4-nitro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide

2-chloro-4-nitro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide (PubChem CID 8795566) has the molecular formula C16H10ClN3O3S and a molecular weight of 359.79 g/mol. Its IUPAC name is 2-chloro-4-nitro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-nitro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
PubChem CID8795566
Molecular FormulaC16H10ClN3O3S
Molecular Weight359.79 g/mol
Exact Mass359.01
IUPAC Name2-chloro-4-nitro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C16H10ClN3O3S/c17-14-9-12(20(22)23)5-6-13(14)15(21)19-11-3-1-10(2-4-11)16-18-7-8-24-16/h1-9H,(H,19,21)
InChIKeyGWSRXCFLIGRXBO-UHFFFAOYSA-N
XLogP4.62
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 723709
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CID 122298152

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-nitro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-4-nitro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide (CID 8795566) is 2-chloro-4-nitro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-nitro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-4-nitro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide is O=C(Nc1ccc(-c2nccs2)cc1)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-4-nitro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The InChIKey is GWSRXCFLIGRXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O3S/c17-14-9-12(20(22)23)5-6-13(14)15(21)19-11-3-1-10(2-4-11)16-18-7-8-24-16/h1-9H,(H,19,21).
What are the key properties of 2-chloro-4-nitro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
2-chloro-4-nitro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide has a molecular weight of 359.79 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-nitro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 8795566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).