3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide

C9H5Cl2NO2 — CID 11564864

IUPAC3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide
SMILESO=C(C#Cc1ccc(Cl)cc1Cl)NO
InChIInChI=1S/C9H5Cl2NO2/c10-7-3-1-6(8(11)5-7)2-4-9(13)12-14/h1,3,5,14H,(H,12,13)
InChIKeyYPVHQWJMECBRGN-UHFFFAOYSA-N
MW230.05 g/mol
LogP1.85
Rot. Bonds

About 3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide

3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide (PubChem CID 11564864) has the molecular formula C9H5Cl2NO2 and a molecular weight of 230.05 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide
PubChem CID11564864
Molecular FormulaC9H5Cl2NO2
Molecular Weight230.05 g/mol
Exact Mass228.97
IUPAC Name3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide
SMILESO=C(C#Cc1ccc(Cl)cc1Cl)NO
InChIInChI=1S/C9H5Cl2NO2/c10-7-3-1-6(8(11)5-7)2-4-9(13)12-14/h1,3,5,14H,(H,12,13)
InChIKeyYPVHQWJMECBRGN-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3-(2,4-Dichlorophenyl)-N-hydroxyacrylamide
CID 11708451
3-(2,4-dichlorophenyl)-N-hydroxypropanamide
CID 11637231
(2E)-3-(2,4-dichlorophenyl)-2-propenamide
CID 1277610
CID 73069165
CID 73069165
3-(4-Chloro-2-fluorophenyl)prop-2-ynamide
CID 167288491
3-(4-Chlorophenyl)propiolamide
CID 12755093
3-(2-Chlorophenyl)-2-propynamide
CID 13543254
3-(4-Chloro-3-fluorophenyl)prop-2-ynamide
CID 159028644
3-(2-Chloro-5-fluorophenyl)prop-2-ynamide
CID 169524930
3-(2-Chloro-4-fluorophenyl)prop-2-ynamide
CID 169524931
3-(2-Chloro-6-fluorophenyl)prop-2-ynamide
CID 169524933
3-(2,6-Dichloro-4-fluorophenyl)prop-2-ynamide
CID 169525173

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide (CID 11564864) is 3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide is O=C(C#Cc1ccc(Cl)cc1Cl)NO.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide?
The InChIKey is YPVHQWJMECBRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NO2/c10-7-3-1-6(8(11)5-7)2-4-9(13)12-14/h1,3,5,14H,(H,12,13).
What are the key properties of 3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide?
3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide has a molecular weight of 230.05 g/mol, XLogP of 1.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide is sourced from PubChem (CID 11564864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).