4-[[(2-chloroacetyl)-methylamino]methyl]benzamide

C11H13ClN2O2 — CID 60812217

IUPAC4-[[(2-chloroacetyl)-methylamino]methyl]benzamide
SMILESCN(Cc1ccc(C(N)=O)cc1)C(=O)CCl
InChIInChI=1S/C11H13ClN2O2/c1-14(10(15)6-12)7-8-2-4-9(5-3-8)11(13)16/h2-5H,6-7H2,1H3,(H2,13,16)
InChIKeyOXIHCOYJIZGWMN-UHFFFAOYSA-N
MW240.69 g/mol
LogP0.98
Rot. Bonds4

About 4-[[(2-chloroacetyl)-methylamino]methyl]benzamide

4-[[(2-chloroacetyl)-methylamino]methyl]benzamide (PubChem CID 60812217) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 4-[[(2-chloroacetyl)-methylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(2-chloroacetyl)-methylamino]methyl]benzamide
PubChem CID60812217
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name4-[[(2-chloroacetyl)-methylamino]methyl]benzamide
SMILESCN(Cc1ccc(C(N)=O)cc1)C(=O)CCl
InChIInChI=1S/C11H13ClN2O2/c1-14(10(15)6-12)7-8-2-4-9(5-3-8)11(13)16/h2-5H,6-7H2,1H3,(H2,13,16)
InChIKeyOXIHCOYJIZGWMN-UHFFFAOYSA-N
XLogP0.98
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 2450177
2-chloro-N-methyl-N-[(4-phenylphenyl)methyl]acetamide
CID 166403235
4-[[[2-(cyclopropylamino)acetyl]-methylamino]methyl]benzamide
CID 54870661
4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]benzamide
CID 62733184
4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide
CID 60940099
4-[[(2-bromo-3-methylbutanoyl)-methylamino]methyl]benzamide
CID 54875292
4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 47129744
2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 60948624
phenyl N-[(4-carbamoylphenyl)methyl]-N-methylcarbamate
CID 60734083
4-[[carbamoyl(methyl)amino]methyl]benzoic acid
CID 23550089
2-chloro-N-methyl-N-[(6-methylnaphthalen-2-yl)methyl]acetamide
CID 115162099
4-[[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]methyl]benzamide
CID 79210320

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-chloroacetyl)-methylamino]methyl]benzamide?
The IUPAC name of 4-[[(2-chloroacetyl)-methylamino]methyl]benzamide (CID 60812217) is 4-[[(2-chloroacetyl)-methylamino]methyl]benzamide.
What is the SMILES notation for 4-[[(2-chloroacetyl)-methylamino]methyl]benzamide?
The canonical SMILES for 4-[[(2-chloroacetyl)-methylamino]methyl]benzamide is CN(Cc1ccc(C(N)=O)cc1)C(=O)CCl.
What is the InChIKey of 4-[[(2-chloroacetyl)-methylamino]methyl]benzamide?
The InChIKey is OXIHCOYJIZGWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-14(10(15)6-12)7-8-2-4-9(5-3-8)11(13)16/h2-5H,6-7H2,1H3,(H2,13,16).
What are the key properties of 4-[[(2-chloroacetyl)-methylamino]methyl]benzamide?
4-[[(2-chloroacetyl)-methylamino]methyl]benzamide has a molecular weight of 240.69 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-chloroacetyl)-methylamino]methyl]benzamide is sourced from PubChem (CID 60812217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).