3-(chloromethyl)-N-[2-(N-methylanilino)ethyl]benzamide

C17H19ClN2O — CID 43347009

IUPAC3-(chloromethyl)-N-[2-(N-methylanilino)ethyl]benzamide
SMILESCN(CCNC(=O)c1cccc(CCl)c1)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-20(16-8-3-2-4-9-16)11-10-19-17(21)15-7-5-6-14(12-15)13-18/h2-9,12H,10-11,13H2,1H3,(H,19,21)
InChIKeyCLRJFKCHMWWHMK-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.29
Rot. Bonds6

About 3-(chloromethyl)-N-[2-(N-methylanilino)ethyl]benzamide

3-(chloromethyl)-N-[2-(N-methylanilino)ethyl]benzamide (PubChem CID 43347009) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-(chloromethyl)-N-[2-(N-methylanilino)ethyl]benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-[2-(N-methylanilino)ethyl]benzamide
PubChem CID43347009
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-(chloromethyl)-N-[2-(N-methylanilino)ethyl]benzamide
SMILESCN(CCNC(=O)c1cccc(CCl)c1)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-20(16-8-3-2-4-9-16)11-10-19-17(21)15-7-5-6-14(12-15)13-18/h2-9,12H,10-11,13H2,1H3,(H,19,21)
InChIKeyCLRJFKCHMWWHMK-UHFFFAOYSA-N
XLogP3.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.29
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

1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
3-[benzyl(methyl)amino]-N-[2-(dimethylamino)ethyl]benzamide
CID 110355481
3-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802899
4-bromo-3-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 81295152
3-cyano-N-[3-(N-methylanilino)propyl]benzamide
CID 24708607
3-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 25335787
N-[2-(N-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 25395257
3-(carbamoylamino)-N-[3-(N-methylanilino)propyl]benzamide
CID 37315817
3-(chloromethyl)-N-[2-(dimethylamino)propyl]benzamide
CID 54912956
3-(chloromethyl)-N-(3-methylsulfonylpropyl)benzamide
CID 54904905
3-(chloromethyl)-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62314649

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-[2-(N-methylanilino)ethyl]benzamide?
The IUPAC name of 3-(chloromethyl)-N-[2-(N-methylanilino)ethyl]benzamide (CID 43347009) is 3-(chloromethyl)-N-[2-(N-methylanilino)ethyl]benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-[2-(N-methylanilino)ethyl]benzamide?
The canonical SMILES for 3-(chloromethyl)-N-[2-(N-methylanilino)ethyl]benzamide is CN(CCNC(=O)c1cccc(CCl)c1)c1ccccc1.
What is the InChIKey of 3-(chloromethyl)-N-[2-(N-methylanilino)ethyl]benzamide?
The InChIKey is CLRJFKCHMWWHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-20(16-8-3-2-4-9-16)11-10-19-17(21)15-7-5-6-14(12-15)13-18/h2-9,12H,10-11,13H2,1H3,(H,19,21).
What are the key properties of 3-(chloromethyl)-N-[2-(N-methylanilino)ethyl]benzamide?
3-(chloromethyl)-N-[2-(N-methylanilino)ethyl]benzamide has a molecular weight of 302.81 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-[2-(N-methylanilino)ethyl]benzamide is sourced from PubChem (CID 43347009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).