2-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]acetamide

C9H9Cl2NO2 — CID 167990561

IUPAC2-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(CO)c(Cl)c1
InChIInChI=1S/C9H9Cl2NO2/c10-4-9(14)12-7-2-1-6(5-13)8(11)3-7/h1-3,13H,4-5H2,(H,12,14)
InChIKeyXZIOEVMRMJBWRO-UHFFFAOYSA-N
MW234.08 g/mol
LogP2.01
Rot. Bonds3

About 2-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]acetamide

2-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]acetamide (PubChem CID 167990561) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is 2-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]acetamide
PubChem CID167990561
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC Name2-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(CO)c(Cl)c1
InChIInChI=1S/C9H9Cl2NO2/c10-4-9(14)12-7-2-1-6(5-13)8(11)3-7/h1-3,13H,4-5H2,(H,12,14)
InChIKeyXZIOEVMRMJBWRO-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 52.01
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

[3-chloro-4-(hydroxymethyl)phenyl]carbamic acid
CID 18621844
2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide
CID 4608777
2-chloro-N-[3-chloro-4-(2-chlorobenzoyl)phenyl]acetamide
CID 20507585
2-chloro-N-[3-[(2-chloroacetyl)amino]phenyl]acetamide
CID 3742979
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
2-chloro-N-[3,5-dichloro-4-[[2,6-dichloro-4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide
CID 102528845
2-chloro-N-[3-chloro-4-(dimethylsulfamoyl)phenyl]acetamide
CID 172616646
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
2-chloroacetyl chloride;2-chloro-N-(4-chloro-3-methoxyphenyl)acetamide
CID 143179500
3-amino-N-[4-chloro-3-[(2-chloroacetyl)amino]phenyl]propanamide
CID 82034449
[2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid
CID 71381636
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]acetamide (CID 167990561) is 2-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]acetamide is O=C(CCl)Nc1ccc(CO)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]acetamide?
The InChIKey is XZIOEVMRMJBWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c10-4-9(14)12-7-2-1-6(5-13)8(11)3-7/h1-3,13H,4-5H2,(H,12,14).
What are the key properties of 2-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]acetamide?
2-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]acetamide has a molecular weight of 234.08 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]acetamide is sourced from PubChem (CID 167990561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).