4-(acetamidomethyl)benzoyl chloride

C10H10ClNO2 — CID 13131539

IUPAC4-(acetamidomethyl)benzoyl chloride
SMILESCC(=O)NCc1ccc(C(=O)Cl)cc1
InChIInChI=1S/C10H10ClNO2/c1-7(13)12-6-8-2-4-9(5-3-8)10(11)14/h2-5H,6H2,1H3,(H,12,13)
InChIKeyFACIQZIWDOOHFF-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.70
Rot. Bonds3

About 4-(acetamidomethyl)benzoyl chloride

4-(acetamidomethyl)benzoyl chloride (PubChem CID 13131539) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 4-(acetamidomethyl)benzoyl chloride.

Molecular Properties

Compound Name4-(acetamidomethyl)benzoyl chloride
PubChem CID13131539
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name4-(acetamidomethyl)benzoyl chloride
SMILESCC(=O)NCc1ccc(C(=O)Cl)cc1
InChIInChI=1S/C10H10ClNO2/c1-7(13)12-6-8-2-4-9(5-3-8)10(11)14/h2-5H,6H2,1H3,(H,12,13)
InChIKeyFACIQZIWDOOHFF-UHFFFAOYSA-N
XLogP1.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(acetamidomethyl)benzoate
CID 4573914
4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
N-[(4-iodophenyl)methyl]acetamide
CID 23111624
4-(acetamidomethyl)-N-(1-amino-2-methylpropan-2-yl)benzamide
CID 119522347
N-[(4-carbamimidoylphenyl)methyl]acetamide
CID 16744801
N-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]acetamide
CID 162083662
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979
N-[[4-[(1-hydroxyethylamino)methyl]phenyl]methyl]acetamide
CID 170399576
[4-(acetamidomethyl)phenyl] acetate
CID 15576450
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide
CID 39020952

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)benzoyl chloride?
The IUPAC name of 4-(acetamidomethyl)benzoyl chloride (CID 13131539) is 4-(acetamidomethyl)benzoyl chloride.
What is the SMILES notation for 4-(acetamidomethyl)benzoyl chloride?
The canonical SMILES for 4-(acetamidomethyl)benzoyl chloride is CC(=O)NCc1ccc(C(=O)Cl)cc1.
What is the InChIKey of 4-(acetamidomethyl)benzoyl chloride?
The InChIKey is FACIQZIWDOOHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-7(13)12-6-8-2-4-9(5-3-8)10(11)14/h2-5H,6H2,1H3,(H,12,13).
What are the key properties of 4-(acetamidomethyl)benzoyl chloride?
4-(acetamidomethyl)benzoyl chloride has a molecular weight of 211.65 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)benzoyl chloride is sourced from PubChem (CID 13131539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).