N-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-3-chlorobenzamide

C19H21ClN2O3 — CID 31236222

IUPACN-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-3-chlorobenzamide
SMILESCOCCN(Cc1ccccc1)C(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O3/c1-25-11-10-22(14-15-6-3-2-4-7-15)18(23)13-21-19(24)16-8-5-9-17(20)12-16/h2-9,12H,10-11,13-14H2,1H3,(H,21,24)
InChIKeyIXOBOQKKRNXTTI-UHFFFAOYSA-N
MW360.84 g/mol
LogP2.74
Rot. Bonds8

About N-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-3-chlorobenzamide

N-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-3-chlorobenzamide (PubChem CID 31236222) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-3-chlorobenzamide
PubChem CID31236222
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-3-chlorobenzamide
SMILESCOCCN(Cc1ccccc1)C(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O3/c1-25-11-10-22(14-15-6-3-2-4-7-15)18(23)13-21-19(24)16-8-5-9-17(20)12-16/h2-9,12H,10-11,13-14H2,1H3,(H,21,24)
InChIKeyIXOBOQKKRNXTTI-UHFFFAOYSA-N
XLogP2.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)acetamide
CID 39358840
N-benzyl-N-(2-methoxyethyl)-2-(2-methoxyethylamino)acetamide
CID 78914153
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
ethyl 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-ethylamino]acetate
CID 78902099
N-benzyl-3-chloro-N-propylbenzamide
CID 71026265
2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 127020353
3-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)propanamide
CID 86913073
N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 78822106
3-chloro-N-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 41437401
3-chloro-N-[2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-2-oxoethyl]benzamide
CID 31670964
[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 9286296
N-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide
CID 78800713

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-3-chlorobenzamide?
The IUPAC name of N-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-3-chlorobenzamide (CID 31236222) is N-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-3-chlorobenzamide.
What is the SMILES notation for N-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-3-chlorobenzamide?
The canonical SMILES for N-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-3-chlorobenzamide is COCCN(Cc1ccccc1)C(=O)CNC(=O)c1cccc(Cl)c1.
What is the InChIKey of N-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-3-chlorobenzamide?
The InChIKey is IXOBOQKKRNXTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-25-11-10-22(14-15-6-3-2-4-7-15)18(23)13-21-19(24)16-8-5-9-17(20)12-16/h2-9,12H,10-11,13-14H2,1H3,(H,21,24).
What are the key properties of N-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-3-chlorobenzamide?
N-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-3-chlorobenzamide has a molecular weight of 360.84 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-3-chlorobenzamide is sourced from PubChem (CID 31236222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).