3-chloro-N-(5-chloro-2-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzamide

C15H10Cl2N2O2 — CID 81291280

IUPAC3-chloro-N-(5-chloro-2-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccc(C#CCO)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2O2/c16-12-5-6-14(18-9-12)19-15(21)11-4-3-10(2-1-7-20)13(17)8-11/h3-6,8-9,20H,7H2,(H,18,19,21)
InChIKeyGPKSKYMQFXKIDC-UHFFFAOYSA-N
MW321.16 g/mol
LogP2.98
Rot. Bonds2

About 3-chloro-N-(5-chloro-2-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzamide

3-chloro-N-(5-chloro-2-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 81291280) has the molecular formula C15H10Cl2N2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 3-chloro-N-(5-chloro-2-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(5-chloro-2-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID81291280
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.16 g/mol
Exact Mass320.01
IUPAC Name3-chloro-N-(5-chloro-2-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccc(C#CCO)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2O2/c16-12-5-6-14(18-9-12)19-15(21)11-4-3-10(2-1-7-20)13(17)8-11/h3-6,8-9,20H,7H2,(H,18,19,21)
InChIKeyGPKSKYMQFXKIDC-UHFFFAOYSA-N
XLogP2.98
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-aminoprop-1-ynyl)-3-chloro-N-(5-fluoro-2-pyridinyl)benzamide
CID 81294398
N-(5-chloro-2-pyridinyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79696754
3-chloro-4-(3-hydroxyprop-1-ynyl)-N-(6-methyl-2-pyridinyl)benzamide
CID 81290259
4-chloro-N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 81260265
4-(3-aminoprop-1-ynyl)-3-chloro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116787631
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055
3-chloro-N-(2,2-dimethylcyclopropyl)-4-(3-hydroxyprop-1-ynyl)benzamide
CID 81295895
3-chloro-4-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 82876344
N-(5-chloro-2-pyridinyl)-4-fluoro-3-nitrobenzamide
CID 43243955
N-(5-chloro-2-pyridinyl)-4-methyl-3-(4-phenylphenyl)benzamide
CID 90885243
3-chloro-4-(3-hydroxyprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106406647
N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide
CID 81269110

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-chloro-2-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of 3-chloro-N-(5-chloro-2-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzamide (CID 81291280) is 3-chloro-N-(5-chloro-2-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for 3-chloro-N-(5-chloro-2-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for 3-chloro-N-(5-chloro-2-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzamide is O=C(Nc1ccc(Cl)cn1)c1ccc(C#CCO)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(5-chloro-2-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is GPKSKYMQFXKIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2/c16-12-5-6-14(18-9-12)19-15(21)11-4-3-10(2-1-7-20)13(17)8-11/h3-6,8-9,20H,7H2,(H,18,19,21).
What are the key properties of 3-chloro-N-(5-chloro-2-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzamide?
3-chloro-N-(5-chloro-2-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 321.16 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-chloro-2-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 81291280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).