3-(chloromethyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide

C13H17ClN2O2 — CID 60948188

IUPAC3-(chloromethyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCCNC(=O)CN(C)C(=O)c1cccc(CCl)c1
InChIInChI=1S/C13H17ClN2O2/c1-3-15-12(17)9-16(2)13(18)11-6-4-5-10(7-11)8-14/h4-7H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyUNUFWDHXVFLHNC-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.63
Rot. Bonds5

About 3-(chloromethyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide

3-(chloromethyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 60948188) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-(chloromethyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
PubChem CID60948188
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name3-(chloromethyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCCNC(=O)CN(C)C(=O)c1cccc(CCl)c1
InChIInChI=1S/C13H17ClN2O2/c1-3-15-12(17)9-16(2)13(18)11-6-4-5-10(7-11)8-14/h4-7H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyUNUFWDHXVFLHNC-UHFFFAOYSA-N
XLogP1.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.63
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

3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60949967
3-(chloromethyl)-N-ethyl-N-methylbenzamide
CID 43263325
3-cyano-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61149660
3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide
CID 43271895
3-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60893102
N-[(4-bromophenyl)methyl]-3-(chloromethyl)-N-methylbenzamide
CID 43346454
3-(chloromethyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 54916209
3-(chloromethyl)-N-(3-methoxypropyl)-N-methylbenzamide
CID 55141461
N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-N,3-dimethylbenzamide
CID 55218765
3-(chloromethyl)-N-[2-(dimethylamino)propyl]benzamide
CID 54912956
3-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 7972299
N,3-diethyl-N-methylbenzamide
CID 89250993

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 3-(chloromethyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide (CID 60948188) is 3-(chloromethyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 3-(chloromethyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 3-(chloromethyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide is CCNC(=O)CN(C)C(=O)c1cccc(CCl)c1.
What is the InChIKey of 3-(chloromethyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is UNUFWDHXVFLHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-3-15-12(17)9-16(2)13(18)11-6-4-5-10(7-11)8-14/h4-7H,3,8-9H2,1-2H3,(H,15,17).
What are the key properties of 3-(chloromethyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide?
3-(chloromethyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 268.74 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 60948188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).