2-(chloromethoxy)-N,N-diethylbenzamide;hydrochloride

C12H17Cl2NO2 — CID 173020221

IUPAC2-(chloromethoxy)-N,N-diethylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccccc1OCCl.Cl
InChIInChI=1S/C12H16ClNO2.ClH/c1-3-14(4-2)12(15)10-7-5-6-8-11(10)16-9-13;/h5-8H,3-4,9H2,1-2H3;1H
InChIKeyLNFAEGRFXAXZEP-UHFFFAOYSA-N
MW278.18 g/mol
LogP3.17
Rot. Bonds5

About 2-(chloromethoxy)-N,N-diethylbenzamide;hydrochloride

2-(chloromethoxy)-N,N-diethylbenzamide;hydrochloride (PubChem CID 173020221) has the molecular formula C12H17Cl2NO2 and a molecular weight of 278.18 g/mol. Its IUPAC name is 2-(chloromethoxy)-N,N-diethylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-(chloromethoxy)-N,N-diethylbenzamide;hydrochloride
PubChem CID173020221
Molecular FormulaC12H17Cl2NO2
Molecular Weight278.18 g/mol
Exact Mass277.06
IUPAC Name2-(chloromethoxy)-N,N-diethylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccccc1OCCl.Cl
InChIInChI=1S/C12H16ClNO2.ClH/c1-3-14(4-2)12(15)10-7-5-6-8-11(10)16-9-13;/h5-8H,3-4,9H2,1-2H3;1H
InChIKeyLNFAEGRFXAXZEP-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide
CID 63395258
2-[(2-chlorophenyl)methoxy]-N,N-diethylbenzamide
CID 13073609
N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methoxy]benzamide
CID 141451288
N-(2-chloroethyl)-N-ethyl-2-methoxybenzamide
CID 63395082
2-[(2-bromophenyl)methoxy]-N,N-diethylbenzamide
CID 112762956
[2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate
CID 122517571
chloromethyl 2-(chloromethoxy)benzoate
CID 57156721
[2-(diethylcarbamoyl)phenyl] N,N-dipropylcarbamate
CID 122517572
CID 59369605
CID 59369605
3-[ethyl-(2-prop-2-enoxybenzoyl)amino]-2-methylpropanoic acid
CID 62825771
N,N-diethyl-3-methoxy-2-(2-methylphenyl)benzamide
CID 14174929
2-acetyl-N,N-diethyl-3-methoxybenzamide
CID 19802545

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethoxy)-N,N-diethylbenzamide;hydrochloride?
The IUPAC name of 2-(chloromethoxy)-N,N-diethylbenzamide;hydrochloride (CID 173020221) is 2-(chloromethoxy)-N,N-diethylbenzamide;hydrochloride.
What is the SMILES notation for 2-(chloromethoxy)-N,N-diethylbenzamide;hydrochloride?
The canonical SMILES for 2-(chloromethoxy)-N,N-diethylbenzamide;hydrochloride is CCN(CC)C(=O)c1ccccc1OCCl.Cl.
What is the InChIKey of 2-(chloromethoxy)-N,N-diethylbenzamide;hydrochloride?
The InChIKey is LNFAEGRFXAXZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2.ClH/c1-3-14(4-2)12(15)10-7-5-6-8-11(10)16-9-13;/h5-8H,3-4,9H2,1-2H3;1H.
What are the key properties of 2-(chloromethoxy)-N,N-diethylbenzamide;hydrochloride?
2-(chloromethoxy)-N,N-diethylbenzamide;hydrochloride has a molecular weight of 278.18 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethoxy)-N,N-diethylbenzamide;hydrochloride is sourced from PubChem (CID 173020221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).