N-(1-chlorobutan-2-yl)-2-(3-hydroxyphenyl)acetamide

C12H16ClNO2 — CID 114294400

IUPACN-(1-chlorobutan-2-yl)-2-(3-hydroxyphenyl)acetamide
SMILESCCC(CCl)NC(=O)Cc1cccc(O)c1
InChIInChI=1S/C12H16ClNO2/c1-2-10(8-13)14-12(16)7-9-4-3-5-11(15)6-9/h3-6,10,15H,2,7-8H2,1H3,(H,14,16)
InChIKeyOQRXHIUZPMYBAB-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.07
Rot. Bonds5

About N-(1-chlorobutan-2-yl)-2-(3-hydroxyphenyl)acetamide

N-(1-chlorobutan-2-yl)-2-(3-hydroxyphenyl)acetamide (PubChem CID 114294400) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-(1-chlorobutan-2-yl)-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-chlorobutan-2-yl)-2-(3-hydroxyphenyl)acetamide
PubChem CID114294400
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-(1-chlorobutan-2-yl)-2-(3-hydroxyphenyl)acetamide
SMILESCCC(CCl)NC(=O)Cc1cccc(O)c1
InChIInChI=1S/C12H16ClNO2/c1-2-10(8-13)14-12(16)7-9-4-3-5-11(15)6-9/h3-6,10,15H,2,7-8H2,1H3,(H,14,16)
InChIKeyOQRXHIUZPMYBAB-UHFFFAOYSA-N
XLogP2.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.07
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-(3-hydroxyphenyl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide
CID 99817638
N-(1-chloro-3-phenylpropan-2-yl)-2-(3-methylphenyl)acetamide
CID 114300302
(2R)-3-hydroxy-2-[[2-(3-hydroxyphenyl)acetyl]amino]propanoic acid
CID 80749726
N-(1-chlorobutan-2-yl)-4-phenylbutanamide
CID 114294201
methyl 3-[[2-(3-chlorophenyl)acetyl]amino]pentanoate
CID 112533158
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide
CID 110004453
2-(3-chlorophenyl)-N-[(3R)-1,1,1-trifluoropentan-3-yl]acetamide
CID 99783550
2-(3-bromophenyl)-N-(1-chloro-4-methylpentan-2-yl)acetamide
CID 113272495
2-(3-chlorophenyl)-N-hex-5-yn-3-ylacetamide
CID 115647113
N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-2-(3-hydroxyphenyl)acetamide
CID 125137145
N-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide
CID 65193942
2-(3-aminophenyl)-N-(1-cyanobutan-2-yl)acetamide
CID 65349834

Frequently Asked Questions

What is the IUPAC name of N-(1-chlorobutan-2-yl)-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-(1-chlorobutan-2-yl)-2-(3-hydroxyphenyl)acetamide (CID 114294400) is N-(1-chlorobutan-2-yl)-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(1-chlorobutan-2-yl)-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-(1-chlorobutan-2-yl)-2-(3-hydroxyphenyl)acetamide is CCC(CCl)NC(=O)Cc1cccc(O)c1.
What is the InChIKey of N-(1-chlorobutan-2-yl)-2-(3-hydroxyphenyl)acetamide?
The InChIKey is OQRXHIUZPMYBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-2-10(8-13)14-12(16)7-9-4-3-5-11(15)6-9/h3-6,10,15H,2,7-8H2,1H3,(H,14,16).
What are the key properties of N-(1-chlorobutan-2-yl)-2-(3-hydroxyphenyl)acetamide?
N-(1-chlorobutan-2-yl)-2-(3-hydroxyphenyl)acetamide has a molecular weight of 241.72 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chlorobutan-2-yl)-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 114294400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).