3-(chloromethyl)-N-ethyl-N-methylbenzamide

C11H14ClNO — CID 43263325

IUPAC3-(chloromethyl)-N-ethyl-N-methylbenzamide
SMILESCCN(C)C(=O)c1cccc(CCl)c1
InChIInChI=1S/C11H14ClNO/c1-3-13(2)11(14)10-6-4-5-9(7-10)8-12/h4-7H,3,8H2,1-2H3
InChIKeyMYXDYBNHNBSGTL-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.52
Rot. Bonds3

About 3-(chloromethyl)-N-ethyl-N-methylbenzamide

3-(chloromethyl)-N-ethyl-N-methylbenzamide (PubChem CID 43263325) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 3-(chloromethyl)-N-ethyl-N-methylbenzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-ethyl-N-methylbenzamide
PubChem CID43263325
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name3-(chloromethyl)-N-ethyl-N-methylbenzamide
SMILESCCN(C)C(=O)c1cccc(CCl)c1
InChIInChI=1S/C11H14ClNO/c1-3-13(2)11(14)10-6-4-5-9(7-10)8-12/h4-7H,3,8H2,1-2H3
InChIKeyMYXDYBNHNBSGTL-UHFFFAOYSA-N
XLogP2.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,3-diethyl-N-methylbenzamide
CID 89250993
3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide
CID 43271895
3-(chloromethyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60948188
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-(3-methoxypropyl)-N-methylbenzamide
CID 55141461
ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
CID 170603252
3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60949967
3-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61435845
N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607
3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61435695
3-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylbenzamide
CID 61027253

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-ethyl-N-methylbenzamide?
The IUPAC name of 3-(chloromethyl)-N-ethyl-N-methylbenzamide (CID 43263325) is 3-(chloromethyl)-N-ethyl-N-methylbenzamide.
What is the SMILES notation for 3-(chloromethyl)-N-ethyl-N-methylbenzamide?
The canonical SMILES for 3-(chloromethyl)-N-ethyl-N-methylbenzamide is CCN(C)C(=O)c1cccc(CCl)c1.
What is the InChIKey of 3-(chloromethyl)-N-ethyl-N-methylbenzamide?
The InChIKey is MYXDYBNHNBSGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-3-13(2)11(14)10-6-4-5-9(7-10)8-12/h4-7H,3,8H2,1-2H3.
What are the key properties of 3-(chloromethyl)-N-ethyl-N-methylbenzamide?
3-(chloromethyl)-N-ethyl-N-methylbenzamide has a molecular weight of 211.69 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-ethyl-N-methylbenzamide is sourced from PubChem (CID 43263325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).