N-(2-chloro-4-hydroxyphenyl)butanamide

C10H12ClNO2 — CID 64789093

IUPACN-(2-chloro-4-hydroxyphenyl)butanamide
SMILESCCCC(=O)Nc1ccc(O)cc1Cl
InChIInChI=1S/C10H12ClNO2/c1-2-3-10(14)12-9-5-4-7(13)6-8(9)11/h4-6,13H,2-3H2,1H3,(H,12,14)
InChIKeyRYDWJUPXLGGQPU-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.78
Rot. Bonds3

About N-(2-chloro-4-hydroxyphenyl)butanamide

N-(2-chloro-4-hydroxyphenyl)butanamide (PubChem CID 64789093) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is N-(2-chloro-4-hydroxyphenyl)butanamide.

Molecular Properties

Compound NameN-(2-chloro-4-hydroxyphenyl)butanamide
PubChem CID64789093
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC NameN-(2-chloro-4-hydroxyphenyl)butanamide
SMILESCCCC(=O)Nc1ccc(O)cc1Cl
InChIInChI=1S/C10H12ClNO2/c1-2-3-10(14)12-9-5-4-7(13)6-8(9)11/h4-6,13H,2-3H2,1H3,(H,12,14)
InChIKeyRYDWJUPXLGGQPU-UHFFFAOYSA-N
XLogP2.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-hydroxyphenyl)nonanamide
CID 65427497
N-(2-chloro-5-hydroxyphenyl)butanamide
CID 137473270
N-(2-ethyl-4-hydroxyphenyl)butanamide
CID 143294453
N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylacetamide
CID 64788324
N-(2-chloro-4-hydroxyphenyl)-2-methoxyacetamide
CID 64786575
N-(2-chloro-4-hydroxyphenyl)acetamide
CID 14590937
N-[2-chloro-4-(1,2,2-tricyanoethenylamino)phenyl]butanamide
CID 168607949
N-[2-chloro-4-[2-(dicyanomethylidene)hydrazinyl]phenyl]butanamide
CID 169339175
2-(butanoylamino)-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzamide
CID 139521347
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)butanamide
CID 19093274
N-(2,4-dichlorophenyl)propanamide
CID 923083
N-(2-chloro-4-hydroxyphenyl)but-2-enamide
CID 77042642

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-hydroxyphenyl)butanamide?
The IUPAC name of N-(2-chloro-4-hydroxyphenyl)butanamide (CID 64789093) is N-(2-chloro-4-hydroxyphenyl)butanamide.
What is the SMILES notation for N-(2-chloro-4-hydroxyphenyl)butanamide?
The canonical SMILES for N-(2-chloro-4-hydroxyphenyl)butanamide is CCCC(=O)Nc1ccc(O)cc1Cl.
What is the InChIKey of N-(2-chloro-4-hydroxyphenyl)butanamide?
The InChIKey is RYDWJUPXLGGQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-2-3-10(14)12-9-5-4-7(13)6-8(9)11/h4-6,13H,2-3H2,1H3,(H,12,14).
What are the key properties of N-(2-chloro-4-hydroxyphenyl)butanamide?
N-(2-chloro-4-hydroxyphenyl)butanamide has a molecular weight of 213.66 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-hydroxyphenyl)butanamide is sourced from PubChem (CID 64789093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).