N-(2,5-dichlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide

C16H11Cl2NO2 — CID 60815889

IUPACN-(2,5-dichlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cccc(C#CCO)c1
InChIInChI=1S/C16H11Cl2NO2/c17-13-6-7-14(18)15(10-13)19-16(21)12-5-1-3-11(9-12)4-2-8-20/h1,3,5-7,9-10,20H,8H2,(H,19,21)
InChIKeyPYOYFYZWOPYDSA-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.59
Rot. Bonds2

About N-(2,5-dichlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide

N-(2,5-dichlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 60815889) has the molecular formula C16H11Cl2NO2 and a molecular weight of 320.18 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID60815889
Molecular FormulaC16H11Cl2NO2
Molecular Weight320.18 g/mol
Exact Mass319.02
IUPAC NameN-(2,5-dichlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cccc(C#CCO)c1
InChIInChI=1S/C16H11Cl2NO2/c17-13-6-7-14(18)15(10-13)19-16(21)12-5-1-3-11(9-12)4-2-8-20/h1,3,5-7,9-10,20H,8H2,(H,19,21)
InChIKeyPYOYFYZWOPYDSA-UHFFFAOYSA-N
XLogP3.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-(2,5-dichlorophenyl)benzamide
CID 60821048
N-(2,4-dichlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60817647
N-(3-chlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816686
3-(3-aminoprop-1-ynyl)-N-(2-chloro-5-methylphenyl)benzamide
CID 107629755
3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804718
4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60803971
N-(2,4-dimethylphenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816968
3-bromo-N-(2,5-dichlorophenyl)benzamide
CID 765435
3-(3-aminoprop-1-ynyl)-N-(3-chloro-2-methylphenyl)benzamide
CID 60820716
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469
N-(2,5-dichlorophenyl)-3-(dimethylamino)benzamide
CID 690506
4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804356

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide (CID 60815889) is N-(2,5-dichlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide is O=C(Nc1cc(Cl)ccc1Cl)c1cccc(C#CCO)c1.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is PYOYFYZWOPYDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2/c17-13-6-7-14(18)15(10-13)19-16(21)12-5-1-3-11(9-12)4-2-8-20/h1,3,5-7,9-10,20H,8H2,(H,19,21).
What are the key properties of N-(2,5-dichlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide?
N-(2,5-dichlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 320.18 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 60815889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).