N-(2-chloro-3-methoxypropyl)-2,6-dimethoxy-N-methylbenzamide

C14H20ClNO4 — CID 63397918

IUPACN-(2-chloro-3-methoxypropyl)-2,6-dimethoxy-N-methylbenzamide
SMILESCOCC(Cl)CN(C)C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C14H20ClNO4/c1-16(8-10(15)9-18-2)14(17)13-11(19-3)6-5-7-12(13)20-4/h5-7,10H,8-9H2,1-4H3
InChIKeyYWZORYARXYXNFO-UHFFFAOYSA-N
MW301.77 g/mol
LogP2.03
Rot. Bonds7

About N-(2-chloro-3-methoxypropyl)-2,6-dimethoxy-N-methylbenzamide

N-(2-chloro-3-methoxypropyl)-2,6-dimethoxy-N-methylbenzamide (PubChem CID 63397918) has the molecular formula C14H20ClNO4 and a molecular weight of 301.77 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-2,6-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-2,6-dimethoxy-N-methylbenzamide
PubChem CID63397918
Molecular FormulaC14H20ClNO4
Molecular Weight301.77 g/mol
Exact Mass301.11
IUPAC NameN-(2-chloro-3-methoxypropyl)-2,6-dimethoxy-N-methylbenzamide
SMILESCOCC(Cl)CN(C)C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C14H20ClNO4/c1-16(8-10(15)9-18-2)14(17)13-11(19-3)6-5-7-12(13)20-4/h5-7,10H,8-9H2,1-4H3
InChIKeyYWZORYARXYXNFO-UHFFFAOYSA-N
XLogP2.03
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-3-methoxypropyl)-4-hydroxy-N-methylbenzamide
CID 63398005
N-(2-cyanopropyl)-2,6-dimethoxy-N-methylbenzamide
CID 54990731
N-(2-chloro-3-methoxypropyl)-2,4-difluoro-N-methylbenzamide
CID 55186682
N-(2-chloro-3-methoxypropyl)-N-methyl-3-methylsulfonylbenzamide
CID 63398083
N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide
CID 103769303
N-(2-chloro-3-methoxypropyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 63398167
5-bromo-N-(2-chloro-3-methoxypropyl)-N-methylthiophene-2-carboxamide
CID 63397906
N-(2-chloro-3-methoxypropyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 63398323
2-bromo-N-(2-chloro-3-methoxypropyl)-4-fluoro-N-methylbenzamide
CID 55186683
5-bromo-N-(2-chloro-3-methoxypropyl)-N,2-dimethylbenzamide
CID 65309176
N-benzyl-2,6-dimethoxy-N-methylbenzamide
CID 3333869
2-chloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 104794864

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-2,6-dimethoxy-N-methylbenzamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-2,6-dimethoxy-N-methylbenzamide (CID 63397918) is N-(2-chloro-3-methoxypropyl)-2,6-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-2,6-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-2,6-dimethoxy-N-methylbenzamide is COCC(Cl)CN(C)C(=O)c1c(OC)cccc1OC.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-2,6-dimethoxy-N-methylbenzamide?
The InChIKey is YWZORYARXYXNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO4/c1-16(8-10(15)9-18-2)14(17)13-11(19-3)6-5-7-12(13)20-4/h5-7,10H,8-9H2,1-4H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-2,6-dimethoxy-N-methylbenzamide?
N-(2-chloro-3-methoxypropyl)-2,6-dimethoxy-N-methylbenzamide has a molecular weight of 301.77 g/mol, XLogP of 2.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-2,6-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 63397918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).