3-(chloromethyl)-N-(2-methylprop-2-enyl)benzamide

C12H14ClNO — CID 114615983

IUPAC3-(chloromethyl)-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CNC(=O)c1cccc(CCl)c1
InChIInChI=1S/C12H14ClNO/c1-9(2)8-14-12(15)11-5-3-4-10(6-11)7-13/h3-6H,1,7-8H2,2H3,(H,14,15)
InChIKeyALAMHZSFRYJVHM-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.73
Rot. Bonds4

About 3-(chloromethyl)-N-(2-methylprop-2-enyl)benzamide

3-(chloromethyl)-N-(2-methylprop-2-enyl)benzamide (PubChem CID 114615983) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(2-methylprop-2-enyl)benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-(2-methylprop-2-enyl)benzamide
PubChem CID114615983
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name3-(chloromethyl)-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CNC(=O)c1cccc(CCl)c1
InChIInChI=1S/C12H14ClNO/c1-9(2)8-14-12(15)11-5-3-4-10(6-11)7-13/h3-6H,1,7-8H2,2H3,(H,14,15)
InChIKeyALAMHZSFRYJVHM-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 43346840
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3-(chloromethyl)-N-(3-methylsulfonylpropyl)benzamide
CID 54904905
3-[[[amino-(2-methylprop-2-enylamino)methylidene]amino]methyl]-N-ethylbenzamide
CID 111071184
N-(5-amino-5-oxopentyl)-3-(chloromethyl)benzamide
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N-(2-methylprop-2-enyl)-3-propoxybenzamide
CID 114618945
3-(chloromethyl)-N-(2-methoxyethoxy)benzamide
CID 82715225
3-(chloromethyl)-N-[2-(N-methylanilino)ethyl]benzamide
CID 43347009
3-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 43333393
3-(chloromethyl)-N-(3-hydroxy-4-methoxybutyl)benzamide
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3-(chloromethyl)-N-(2-methylcyclopropyl)benzamide
CID 62397719

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-(2-methylprop-2-enyl)benzamide?
The IUPAC name of 3-(chloromethyl)-N-(2-methylprop-2-enyl)benzamide (CID 114615983) is 3-(chloromethyl)-N-(2-methylprop-2-enyl)benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-(2-methylprop-2-enyl)benzamide?
The canonical SMILES for 3-(chloromethyl)-N-(2-methylprop-2-enyl)benzamide is C=C(C)CNC(=O)c1cccc(CCl)c1.
What is the InChIKey of 3-(chloromethyl)-N-(2-methylprop-2-enyl)benzamide?
The InChIKey is ALAMHZSFRYJVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-9(2)8-14-12(15)11-5-3-4-10(6-11)7-13/h3-6H,1,7-8H2,2H3,(H,14,15).
What are the key properties of 3-(chloromethyl)-N-(2-methylprop-2-enyl)benzamide?
3-(chloromethyl)-N-(2-methylprop-2-enyl)benzamide has a molecular weight of 223.70 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-(2-methylprop-2-enyl)benzamide is sourced from PubChem (CID 114615983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).