4-chloro-2-hydroxy-N-pent-4-yn-2-ylbenzamide

C12H12ClNO2 — CID 115665138

IUPAC4-chloro-2-hydroxy-N-pent-4-yn-2-ylbenzamide
SMILESC#CCC(C)NC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C12H12ClNO2/c1-3-4-8(2)14-12(16)10-6-5-9(13)7-11(10)15/h1,5-8,15H,4H2,2H3,(H,14,16)
InChIKeyUGYICUSJSIEXGC-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.19
Rot. Bonds3

About 4-chloro-2-hydroxy-N-pent-4-yn-2-ylbenzamide

4-chloro-2-hydroxy-N-pent-4-yn-2-ylbenzamide (PubChem CID 115665138) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-pent-4-yn-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-pent-4-yn-2-ylbenzamide
PubChem CID115665138
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name4-chloro-2-hydroxy-N-pent-4-yn-2-ylbenzamide
SMILESC#CCC(C)NC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C12H12ClNO2/c1-3-4-8(2)14-12(16)10-6-5-9(13)7-11(10)15/h1,5-8,15H,4H2,2H3,(H,14,16)
InChIKeyUGYICUSJSIEXGC-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.19
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

6-[(4-chloro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid
CID 65285765
2,6-dichloro-N-pent-4-yn-2-ylpyridine-4-carboxamide
CID 115661799
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185164
4-chloro-N-(2-chloropropyl)-2-hydroxybenzamide
CID 114296442
5-chloro-N-(1-chloropropan-2-yl)-2-hydroxybenzamide
CID 114299358
2,4-dichloro-N-(4-chlorobutan-2-yl)benzamide
CID 83178224
5-chloro-N-(1-cyanopropan-2-yl)-2-fluorobenzamide
CID 62090270
N-(1-bromo-4,4-dimethylpentan-3-yl)-4-chloro-2-hydroxybenzamide
CID 114177999
4-chloro-N-(4-chlorobutan-2-yl)-2-fluorobenzamide
CID 83187469
methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-hydroxypropanoate
CID 43405857
2-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
CID 103825446
2,4-dichloro-N-(5-chloropentan-2-yl)benzamide
CID 114305887

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-pent-4-yn-2-ylbenzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-pent-4-yn-2-ylbenzamide (CID 115665138) is 4-chloro-2-hydroxy-N-pent-4-yn-2-ylbenzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-pent-4-yn-2-ylbenzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-pent-4-yn-2-ylbenzamide is C#CCC(C)NC(=O)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-2-hydroxy-N-pent-4-yn-2-ylbenzamide?
The InChIKey is UGYICUSJSIEXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-3-4-8(2)14-12(16)10-6-5-9(13)7-11(10)15/h1,5-8,15H,4H2,2H3,(H,14,16).
What are the key properties of 4-chloro-2-hydroxy-N-pent-4-yn-2-ylbenzamide?
4-chloro-2-hydroxy-N-pent-4-yn-2-ylbenzamide has a molecular weight of 237.69 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-N-pent-4-yn-2-ylbenzamide is sourced from PubChem (CID 115665138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).