N-(4-chloro-3-hydroxyphenyl)prop-2-ynamide

C9H6ClNO2 — CID 64786729

IUPACN-(4-chloro-3-hydroxyphenyl)prop-2-ynamide
SMILESC#CC(=O)Nc1ccc(Cl)c(O)c1
InChIInChI=1S/C9H6ClNO2/c1-2-9(13)11-6-3-4-7(10)8(12)5-6/h1,3-5,12H,(H,11,13)
InChIKeyRNWXPDWNNVKBQU-UHFFFAOYSA-N
MW195.60 g/mol
LogP1.62
Rot. Bonds1

About N-(4-chloro-3-hydroxyphenyl)prop-2-ynamide

N-(4-chloro-3-hydroxyphenyl)prop-2-ynamide (PubChem CID 64786729) has the molecular formula C9H6ClNO2 and a molecular weight of 195.60 g/mol. Its IUPAC name is N-(4-chloro-3-hydroxyphenyl)prop-2-ynamide.

Molecular Properties

Compound NameN-(4-chloro-3-hydroxyphenyl)prop-2-ynamide
PubChem CID64786729
Molecular FormulaC9H6ClNO2
Molecular Weight195.60 g/mol
Exact Mass195.01
IUPAC NameN-(4-chloro-3-hydroxyphenyl)prop-2-ynamide
SMILESC#CC(=O)Nc1ccc(Cl)c(O)c1
InChIInChI=1S/C9H6ClNO2/c1-2-9(13)11-6-3-4-7(10)8(12)5-6/h1,3-5,12H,(H,11,13)
InChIKeyRNWXPDWNNVKBQU-UHFFFAOYSA-N
XLogP1.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.60
LogP ≤ 51.62
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

N-[4-(aminomethyl)-3-hydroxyphenyl]prop-2-ynamide
CID 82504643
N-(4-chloro-3-hydroxyphenyl)cyclopent-3-ene-1-carboxamide
CID 64788068
2,5-dichloro-N-(4-chloro-3-hydroxyphenyl)benzamide
CID 64789245
N-(4-chloro-3-hydroxyphenyl)piperidine-1-carboxamide
CID 79155981
N-(4-chloro-3-hydroxyphenyl)cyclooctanecarboxamide
CID 65023340
3-chloro-N-(4-chloro-3-hydroxyphenyl)-4-hydroxybenzamide
CID 64788669
N-(4-chloro-3-hydroxyphenyl)-2-ethylbutanamide
CID 64788855
N-(4-chloro-3-hydroxyphenyl)-2-(4-hydroxyphenyl)acetamide
CID 64788064
N-(4-chloro-3-hydroxyphenyl)-3,3,3-trifluoropropanamide
CID 64786329
1-(4-chloro-3-hydroxyphenyl)-3-(3-cyanophenyl)urea
CID 64789061
2-chloro-5-hydrazinylphenol
CID 11182764
4-chloro-N-(4-chloro-3-hydroxyphenyl)-1H-pyrrole-2-carboxamide
CID 64787118

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-hydroxyphenyl)prop-2-ynamide?
The IUPAC name of N-(4-chloro-3-hydroxyphenyl)prop-2-ynamide (CID 64786729) is N-(4-chloro-3-hydroxyphenyl)prop-2-ynamide.
What is the SMILES notation for N-(4-chloro-3-hydroxyphenyl)prop-2-ynamide?
The canonical SMILES for N-(4-chloro-3-hydroxyphenyl)prop-2-ynamide is C#CC(=O)Nc1ccc(Cl)c(O)c1.
What is the InChIKey of N-(4-chloro-3-hydroxyphenyl)prop-2-ynamide?
The InChIKey is RNWXPDWNNVKBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2/c1-2-9(13)11-6-3-4-7(10)8(12)5-6/h1,3-5,12H,(H,11,13).
What are the key properties of N-(4-chloro-3-hydroxyphenyl)prop-2-ynamide?
N-(4-chloro-3-hydroxyphenyl)prop-2-ynamide has a molecular weight of 195.60 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-hydroxyphenyl)prop-2-ynamide is sourced from PubChem (CID 64786729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).