N-(3,5-dichloro-4-hydroxyphenyl)-3-phenylprop-2-ynamide

C15H9Cl2NO2 — CID 82885550

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C15H9Cl2NO2/c16-12-8-11(9-13(17)15(12)20)18-14(19)7-6-10-4-2-1-3-5-10/h1-5,8-9,20H,(H,18,19)
InChIKeyXGGABAGPTAOJGT-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.69
Rot. Bonds1

About N-(3,5-dichloro-4-hydroxyphenyl)-3-phenylprop-2-ynamide

N-(3,5-dichloro-4-hydroxyphenyl)-3-phenylprop-2-ynamide (PubChem CID 82885550) has the molecular formula C15H9Cl2NO2 and a molecular weight of 306.15 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-3-phenylprop-2-ynamide
PubChem CID82885550
Molecular FormulaC15H9Cl2NO2
Molecular Weight306.15 g/mol
Exact Mass305.00
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C15H9Cl2NO2/c16-12-8-11(9-13(17)15(12)20)18-14(19)7-6-10-4-2-1-3-5-10/h1-5,8-9,20H,(H,18,19)
InChIKeyXGGABAGPTAOJGT-UHFFFAOYSA-N
XLogP3.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamido-3,5-dimethylphenyl)-3-phenylprop-2-ynamide
CID 75377163
N-(4-chloro-3-pyridinyl)-3-phenylprop-2-ynamide
CID 113253382
N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-3-phenylprop-2-ynamide
CID 122144789
3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide
CID 156695258
N-(2-bromo-5-chlorophenyl)-3-phenylprop-2-ynamide
CID 81271695
N-(3-iodo-4-methylphenyl)-3-phenylprop-2-ynamide
CID 114257133
N-isoquinolin-6-yl-3-phenylprop-2-ynamide
CID 135200057
benzyl N-(3,5-dichloro-4-hydroxyphenyl)carbamate
CID 22048547
N-(3,5-dichloro-4-hydroxyphenyl)pyridine-2-carboxamide
CID 82884387
N-(2-aminophenyl)-3-phenylprop-2-ynamide
CID 43600037
2-[2-(3-phenylprop-2-ynoylamino)phenyl]acetic acid
CID 62534943
N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide
CID 3875315

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-3-phenylprop-2-ynamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-3-phenylprop-2-ynamide (CID 82885550) is N-(3,5-dichloro-4-hydroxyphenyl)-3-phenylprop-2-ynamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-3-phenylprop-2-ynamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-3-phenylprop-2-ynamide is O=C(C#Cc1ccccc1)Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-3-phenylprop-2-ynamide?
The InChIKey is XGGABAGPTAOJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO2/c16-12-8-11(9-13(17)15(12)20)18-14(19)7-6-10-4-2-1-3-5-10/h1-5,8-9,20H,(H,18,19).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-3-phenylprop-2-ynamide?
N-(3,5-dichloro-4-hydroxyphenyl)-3-phenylprop-2-ynamide has a molecular weight of 306.15 g/mol, XLogP of 3.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-hydroxyphenyl)-3-phenylprop-2-ynamide is sourced from PubChem (CID 82885550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).