N-[[4-(chloromethyl)phenyl]methyl]acetamide

C10H12ClNO — CID 15550682

IUPACN-[[4-(chloromethyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(CCl)cc1
InChIInChI=1S/C10H12ClNO/c1-8(13)12-7-10-4-2-9(6-11)3-5-10/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyUADHOMUWKSPYAI-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.06
Rot. Bonds3

About N-[[4-(chloromethyl)phenyl]methyl]acetamide

N-[[4-(chloromethyl)phenyl]methyl]acetamide (PubChem CID 15550682) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is N-[[4-(chloromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(chloromethyl)phenyl]methyl]acetamide
PubChem CID15550682
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC NameN-[[4-(chloromethyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(CCl)cc1
InChIInChI=1S/C10H12ClNO/c1-8(13)12-7-10-4-2-9(6-11)3-5-10/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyUADHOMUWKSPYAI-UHFFFAOYSA-N
XLogP2.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]acetamide?
The IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]acetamide (CID 15550682) is N-[[4-(chloromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-(chloromethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-(chloromethyl)phenyl]methyl]acetamide is CC(=O)NCc1ccc(CCl)cc1.
What is the InChIKey of N-[[4-(chloromethyl)phenyl]methyl]acetamide?
The InChIKey is UADHOMUWKSPYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-8(13)12-7-10-4-2-9(6-11)3-5-10/h2-5H,6-7H2,1H3,(H,12,13).
What are the key properties of N-[[4-(chloromethyl)phenyl]methyl]acetamide?
N-[[4-(chloromethyl)phenyl]methyl]acetamide has a molecular weight of 197.66 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(chloromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 15550682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).