N-(1-chloro-3-methylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide

C13H18ClNO2 — CID 114305332

IUPACN-(1-chloro-3-methylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide
SMILESCC(C)C(CCl)NC(=O)Cc1ccccc1O
InChIInChI=1S/C13H18ClNO2/c1-9(2)11(8-14)15-13(17)7-10-5-3-4-6-12(10)16/h3-6,9,11,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyAJMGGQRIKAXBTL-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.31
Rot. Bonds5

About N-(1-chloro-3-methylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide

N-(1-chloro-3-methylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide (PubChem CID 114305332) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is N-(1-chloro-3-methylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide
PubChem CID114305332
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC NameN-(1-chloro-3-methylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide
SMILESCC(C)C(CCl)NC(=O)Cc1ccccc1O
InChIInChI=1S/C13H18ClNO2/c1-9(2)11(8-14)15-13(17)7-10-5-3-4-6-12(10)16/h3-6,9,11,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyAJMGGQRIKAXBTL-UHFFFAOYSA-N
XLogP2.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyphenyl)-N-propan-2-ylacetamide
CID 78990911
N-(3-chloro-2-methylpropyl)-2-(2-hydroxyphenyl)acetamide
CID 114302533
N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(2-hydroxyphenyl)acetamide
CID 106355515
methyl 2-[[2-(2-hydroxyphenyl)acetyl]amino]-3-methylbutanoate
CID 78993299
2-(2-hydroxyphenyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 78990806
N-(1-chloro-4-methylpentan-3-yl)-2-(2-methoxyphenyl)acetamide
CID 106354657
3-[(2-chlorophenyl)methylamino]-4-methylpentanoic acid
CID 3280554
2-[2-(aminomethyl)phenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 81322851
2-(2-hydroxyphenyl)-N-pent-4-yn-2-ylacetamide
CID 115665144
2-(2-hydroxyphenyl)-N-(2-methylpropyl)acetamide
CID 22947307
N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78916745
N-(1-ethoxypropan-2-yl)-2-(2-hydroxyphenyl)acetamide
CID 78916993

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide?
The IUPAC name of N-(1-chloro-3-methylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide (CID 114305332) is N-(1-chloro-3-methylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(1-chloro-3-methylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide?
The canonical SMILES for N-(1-chloro-3-methylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide is CC(C)C(CCl)NC(=O)Cc1ccccc1O.
What is the InChIKey of N-(1-chloro-3-methylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide?
The InChIKey is AJMGGQRIKAXBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-9(2)11(8-14)15-13(17)7-10-5-3-4-6-12(10)16/h3-6,9,11,16H,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-(1-chloro-3-methylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide?
N-(1-chloro-3-methylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide has a molecular weight of 255.74 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 114305332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).