N-[3-chloro-6-(hydroxymethyl)-2-methylphenyl]acetamide

C10H12ClNO2 — CID 22890268

IUPACN-[3-chloro-6-(hydroxymethyl)-2-methylphenyl]acetamide
SMILESCC(=O)Nc1c(CO)ccc(Cl)c1C
InChIInChI=1S/C10H12ClNO2/c1-6-9(11)4-3-8(5-13)10(6)12-7(2)14/h3-4,13H,5H2,1-2H3,(H,12,14)
InChIKeyXUCMLUJAKMHWOM-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.10
Rot. Bonds2

About N-[3-chloro-6-(hydroxymethyl)-2-methylphenyl]acetamide

N-[3-chloro-6-(hydroxymethyl)-2-methylphenyl]acetamide (PubChem CID 22890268) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is N-[3-chloro-6-(hydroxymethyl)-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-6-(hydroxymethyl)-2-methylphenyl]acetamide
PubChem CID22890268
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC NameN-[3-chloro-6-(hydroxymethyl)-2-methylphenyl]acetamide
SMILESCC(=O)Nc1c(CO)ccc(Cl)c1C
InChIInChI=1S/C10H12ClNO2/c1-6-9(11)4-3-8(5-13)10(6)12-7(2)14/h3-4,13H,5H2,1-2H3,(H,12,14)
InChIKeyXUCMLUJAKMHWOM-UHFFFAOYSA-N
XLogP2.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2,3-dimethylphenyl)acetic acid
CID 66771246
N-(6-chloro-2-fluoro-3-methylphenyl)acetamide
CID 67957585
(3-bromo-4-chloro-2-methylphenyl)methanol
CID 131627539
N-[[4-chloro-3-(hydroxymethyl)phenyl]methyl]acetamide
CID 67148459
N-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide
CID 162349141
N-(2-chloro-6-ethylphenyl)acetamide
CID 130011952
[3-chloro-4-(hydroxymethyl)phenyl]carbamic acid
CID 18621844
N-[3-chloro-2-(3-hydroxypropyl)-6-methoxyphenyl]acetamide
CID 117397884
N-(3-chloro-2,6-dimethylphenyl)-2-cyanoacetamide
CID 82677698
N-(2,3,4-trichloro-6-methylphenyl)acetamide
CID 88800520
N-[2-(3-aminopropyl)-3-chloro-6-hydroxyphenyl]acetamide
CID 117358835
4-(2-acetamido-6-chloro-3-methoxyphenyl)butanoic acid
CID 117460217

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-6-(hydroxymethyl)-2-methylphenyl]acetamide?
The IUPAC name of N-[3-chloro-6-(hydroxymethyl)-2-methylphenyl]acetamide (CID 22890268) is N-[3-chloro-6-(hydroxymethyl)-2-methylphenyl]acetamide.
What is the SMILES notation for N-[3-chloro-6-(hydroxymethyl)-2-methylphenyl]acetamide?
The canonical SMILES for N-[3-chloro-6-(hydroxymethyl)-2-methylphenyl]acetamide is CC(=O)Nc1c(CO)ccc(Cl)c1C.
What is the InChIKey of N-[3-chloro-6-(hydroxymethyl)-2-methylphenyl]acetamide?
The InChIKey is XUCMLUJAKMHWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-6-9(11)4-3-8(5-13)10(6)12-7(2)14/h3-4,13H,5H2,1-2H3,(H,12,14).
What are the key properties of N-[3-chloro-6-(hydroxymethyl)-2-methylphenyl]acetamide?
N-[3-chloro-6-(hydroxymethyl)-2-methylphenyl]acetamide has a molecular weight of 213.66 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-6-(hydroxymethyl)-2-methylphenyl]acetamide is sourced from PubChem (CID 22890268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).