3-chloro-4,5-dimethoxy-N-[2-(N-methylanilino)ethyl]benzamide

C18H21ClN2O3 — CID 25395019

IUPAC3-chloro-4,5-dimethoxy-N-[2-(N-methylanilino)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCN(C)c2ccccc2)cc(Cl)c1OC
InChIInChI=1S/C18H21ClN2O3/c1-21(14-7-5-4-6-8-14)10-9-20-18(22)13-11-15(19)17(24-3)16(12-13)23-2/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)
InChIKeyGFSFBAWVSHSZOM-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.22
Rot. Bonds7

About 3-chloro-4,5-dimethoxy-N-[2-(N-methylanilino)ethyl]benzamide

3-chloro-4,5-dimethoxy-N-[2-(N-methylanilino)ethyl]benzamide (PubChem CID 25395019) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-[2-(N-methylanilino)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-[2-(N-methylanilino)ethyl]benzamide
PubChem CID25395019
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name3-chloro-4,5-dimethoxy-N-[2-(N-methylanilino)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCN(C)c2ccccc2)cc(Cl)c1OC
InChIInChI=1S/C18H21ClN2O3/c1-21(14-7-5-4-6-8-14)10-9-20-18(22)13-11-15(19)17(24-3)16(12-13)23-2/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)
InChIKeyGFSFBAWVSHSZOM-UHFFFAOYSA-N
XLogP3.22
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 81295152
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
CID 9301624
3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713221
5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid
CID 62032676
3,4,5-trimethoxy-N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide
CID 24552848
3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 26253252
3,4,5-trimethoxy-N-[1-[3-(N-methylanilino)propylamino]-1-oxopropan-2-yl]benzamide
CID 43008482
(E)-N-[2-(N-methylanilino)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 24560393
3-chloro-N-(5-hydroxypentyl)-4,5-dimethoxybenzamide
CID 107318683
N-[2-(4-chloro-N-methylanilino)ethyl]-3,5-dimethoxybenzamide
CID 110664504
3-ethoxy-4-methoxy-N-[3-(N-methylanilino)propyl]benzamide
CID 37315779

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-[2-(N-methylanilino)ethyl]benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-[2-(N-methylanilino)ethyl]benzamide (CID 25395019) is 3-chloro-4,5-dimethoxy-N-[2-(N-methylanilino)ethyl]benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-[2-(N-methylanilino)ethyl]benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-[2-(N-methylanilino)ethyl]benzamide is COc1cc(C(=O)NCCN(C)c2ccccc2)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-[2-(N-methylanilino)ethyl]benzamide?
The InChIKey is GFSFBAWVSHSZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-21(14-7-5-4-6-8-14)10-9-20-18(22)13-11-15(19)17(24-3)16(12-13)23-2/h4-8,11-12H,9-10H2,1-3H3,(H,20,22).
What are the key properties of 3-chloro-4,5-dimethoxy-N-[2-(N-methylanilino)ethyl]benzamide?
3-chloro-4,5-dimethoxy-N-[2-(N-methylanilino)ethyl]benzamide has a molecular weight of 348.83 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-[2-(N-methylanilino)ethyl]benzamide is sourced from PubChem (CID 25395019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).