N-(3-chloro-2-methylpropyl)-2-(2-hydroxyphenyl)acetamide

C12H16ClNO2 — CID 114302533

IUPACN-(3-chloro-2-methylpropyl)-2-(2-hydroxyphenyl)acetamide
SMILESCC(CCl)CNC(=O)Cc1ccccc1O
InChIInChI=1S/C12H16ClNO2/c1-9(7-13)8-14-12(16)6-10-4-2-3-5-11(10)15/h2-5,9,15H,6-8H2,1H3,(H,14,16)
InChIKeySLRNCDCSPKSRBG-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.93
Rot. Bonds5

About N-(3-chloro-2-methylpropyl)-2-(2-hydroxyphenyl)acetamide

N-(3-chloro-2-methylpropyl)-2-(2-hydroxyphenyl)acetamide (PubChem CID 114302533) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-(3-chloro-2-methylpropyl)-2-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylpropyl)-2-(2-hydroxyphenyl)acetamide
PubChem CID114302533
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-(3-chloro-2-methylpropyl)-2-(2-hydroxyphenyl)acetamide
SMILESCC(CCl)CNC(=O)Cc1ccccc1O
InChIInChI=1S/C12H16ClNO2/c1-9(7-13)8-14-12(16)6-10-4-2-3-5-11(10)15/h2-5,9,15H,6-8H2,1H3,(H,14,16)
InChIKeySLRNCDCSPKSRBG-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
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-(2-methylpropyl)acetamide
CID 22947307
N-(4-hydroxy-2-methylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 71980512
2-(2-hydroxyphenyl)-N-[2-(methylamino)propyl]acetamide
CID 103512690
N-(3-chloro-2-methylpropyl)-2-(4-methylphenyl)acetamide
CID 114302763
methyl 2-chloro-3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate
CID 103492759
N-(2-chloro-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 106287114
N-[2-(2-chloroethyl)pentyl]-2-(2-hydroxyphenyl)acetamide
CID 114145672
2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 96570196
N-(1-chloro-3-methylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide
CID 114305332
N-(3-aminobutyl)-2-(2-hydroxyphenyl)acetamide
CID 80741503
2-(2-hydroxyphenyl)-N-propan-2-ylacetamide
CID 78990911
N-(2-bromo-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 114168757

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylpropyl)-2-(2-hydroxyphenyl)acetamide?
The IUPAC name of N-(3-chloro-2-methylpropyl)-2-(2-hydroxyphenyl)acetamide (CID 114302533) is N-(3-chloro-2-methylpropyl)-2-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylpropyl)-2-(2-hydroxyphenyl)acetamide?
The canonical SMILES for N-(3-chloro-2-methylpropyl)-2-(2-hydroxyphenyl)acetamide is CC(CCl)CNC(=O)Cc1ccccc1O.
What is the InChIKey of N-(3-chloro-2-methylpropyl)-2-(2-hydroxyphenyl)acetamide?
The InChIKey is SLRNCDCSPKSRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-9(7-13)8-14-12(16)6-10-4-2-3-5-11(10)15/h2-5,9,15H,6-8H2,1H3,(H,14,16).
What are the key properties of N-(3-chloro-2-methylpropyl)-2-(2-hydroxyphenyl)acetamide?
N-(3-chloro-2-methylpropyl)-2-(2-hydroxyphenyl)acetamide has a molecular weight of 241.72 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylpropyl)-2-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 114302533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).