N-(3-chloropropyl)-N-ethyl-2,3-dimethoxybenzamide

C14H20ClNO3 — CID 113469120

IUPACN-(3-chloropropyl)-N-ethyl-2,3-dimethoxybenzamide
SMILESCCN(CCCCl)C(=O)c1cccc(OC)c1OC
InChIInChI=1S/C14H20ClNO3/c1-4-16(10-6-9-15)14(17)11-7-5-8-12(18-2)13(11)19-3/h5,7-8H,4,6,9-10H2,1-3H3
InChIKeyAUHAULKSDYYMAJ-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.79
Rot. Bonds7

About N-(3-chloropropyl)-N-ethyl-2,3-dimethoxybenzamide

N-(3-chloropropyl)-N-ethyl-2,3-dimethoxybenzamide (PubChem CID 113469120) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-ethyl-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-ethyl-2,3-dimethoxybenzamide
PubChem CID113469120
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC NameN-(3-chloropropyl)-N-ethyl-2,3-dimethoxybenzamide
SMILESCCN(CCCCl)C(=O)c1cccc(OC)c1OC
InChIInChI=1S/C14H20ClNO3/c1-4-16(10-6-9-15)14(17)11-7-5-8-12(18-2)13(11)19-3/h5,7-8H,4,6,9-10H2,1-3H3
InChIKeyAUHAULKSDYYMAJ-UHFFFAOYSA-N
XLogP2.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-ethyl-2-methoxybenzamide
CID 63395082
N-butyl-2,3-dimethoxy-N-methylbenzamide
CID 78796146
2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide
CID 113468548
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2,3-dimethoxybenzamide
CID 78789446
2-acetyl-N,N-diethyl-3-methoxybenzamide
CID 19802545
N,N-diethyl-2-methoxy-3-methylbenzamide
CID 12902424
N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide
CID 63395258
N-(3-chloropropyl)-N-ethyl-2-methyl-3-nitrobenzamide
CID 113469119
2-bromo-N-(3-chloropropyl)-N-ethyl-5-methoxybenzamide
CID 113469141
3-amino-N-[3-(dimethylamino)propyl]-2-ethoxy-N-ethylbenzamide
CID 102990804
N-(1-bromopropan-2-yl)-2,3-dimethoxy-N-methylbenzamide
CID 113426448
N-cyclohexyl-N-ethyl-2,3-dimethoxybenzamide
CID 134010441

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-ethyl-2,3-dimethoxybenzamide?
The IUPAC name of N-(3-chloropropyl)-N-ethyl-2,3-dimethoxybenzamide (CID 113469120) is N-(3-chloropropyl)-N-ethyl-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(3-chloropropyl)-N-ethyl-2,3-dimethoxybenzamide?
The canonical SMILES for N-(3-chloropropyl)-N-ethyl-2,3-dimethoxybenzamide is CCN(CCCCl)C(=O)c1cccc(OC)c1OC.
What is the InChIKey of N-(3-chloropropyl)-N-ethyl-2,3-dimethoxybenzamide?
The InChIKey is AUHAULKSDYYMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-4-16(10-6-9-15)14(17)11-7-5-8-12(18-2)13(11)19-3/h5,7-8H,4,6,9-10H2,1-3H3.
What are the key properties of N-(3-chloropropyl)-N-ethyl-2,3-dimethoxybenzamide?
N-(3-chloropropyl)-N-ethyl-2,3-dimethoxybenzamide has a molecular weight of 285.77 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-ethyl-2,3-dimethoxybenzamide is sourced from PubChem (CID 113469120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).