N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dimethoxybenzamide

C21H27ClN2O3 — CID 18161543

IUPACN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dimethoxybenzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(OC)c(OC)c1)c1ccccc1Cl
InChIInChI=1S/C21H27ClN2O3/c1-5-24(6-2)18(16-9-7-8-10-17(16)22)14-23-21(25)15-11-12-19(26-3)20(13-15)27-4/h7-13,18H,5-6,14H2,1-4H3,(H,23,25)
InChIKeyASMXLTQEJYMPMG-UHFFFAOYSA-N
MW390.91 g/mol
LogP4.17
Rot. Bonds9

About N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dimethoxybenzamide

N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dimethoxybenzamide (PubChem CID 18161543) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dimethoxybenzamide
PubChem CID18161543
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC NameN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dimethoxybenzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(OC)c(OC)c1)c1ccccc1Cl
InChIInChI=1S/C21H27ClN2O3/c1-5-24(6-2)18(16-9-7-8-10-17(16)22)14-23-21(25)15-11-12-19(26-3)20(13-15)27-4/h7-13,18H,5-6,14H2,1-4H3,(H,23,25)
InChIKeyASMXLTQEJYMPMG-UHFFFAOYSA-N
XLogP4.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybenzamide
CID 42279457
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]acetamide
CID 55337679
3-chloro-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]benzamide
CID 18280256
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 51283235
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 34949059
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylsulfinylbenzamide
CID 86930265
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methoxy-3-nitrobenzamide
CID 51109535
N-[2-(diethylamino)-2-phenylethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 55527031
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(difluoromethylsulfanyl)benzamide
CID 18269959
3,4-dichloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 17458646
N-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide
CID 51166343
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 47051734

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dimethoxybenzamide (CID 18161543) is N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dimethoxybenzamide is CCN(CC)C(CNC(=O)c1ccc(OC)c(OC)c1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dimethoxybenzamide?
The InChIKey is ASMXLTQEJYMPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O3/c1-5-24(6-2)18(16-9-7-8-10-17(16)22)14-23-21(25)15-11-12-19(26-3)20(13-15)27-4/h7-13,18H,5-6,14H2,1-4H3,(H,23,25).
What are the key properties of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dimethoxybenzamide?
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dimethoxybenzamide has a molecular weight of 390.91 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 18161543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).