N-benzyl-2-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide

C24H23ClN2O3 — CID 7981698

IUPACN-benzyl-2-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
SMILESC[C@@H](NC(=O)COc1ccccc1C(=O)NCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C24H23ClN2O3/c1-17(19-11-5-7-13-21(19)25)27-23(28)16-30-22-14-8-6-12-20(22)24(29)26-15-18-9-3-2-4-10-18/h2-14,17H,15-16H2,1H3,(H,26,29)(H,27,28)/t17-/m1/s1
InChIKeyOIFSDUTUZITJBS-QGZVFWFLSA-N
MW422.91 g/mol
LogP4.53
Rot. Bonds8

About N-benzyl-2-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide

N-benzyl-2-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide (PubChem CID 7981698) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is N-benzyl-2-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
PubChem CID7981698
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC NameN-benzyl-2-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
SMILESC[C@@H](NC(=O)COc1ccccc1C(=O)NCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C24H23ClN2O3/c1-17(19-11-5-7-13-21(19)25)27-23(28)16-30-22-14-8-6-12-20(22)24(29)26-15-18-9-3-2-4-10-18/h2-14,17H,15-16H2,1H3,(H,26,29)(H,27,28)/t17-/m1/s1
InChIKeyOIFSDUTUZITJBS-QGZVFWFLSA-N
XLogP4.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]-N-benzylbenzamide
CID 41134830
N-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 41176984
2-(2-anilino-2-oxoethoxy)-N-benzylbenzamide
CID 4800998
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 7859030
N-benzyl-2-[2-(2-ethoxyanilino)-2-oxoethoxy]benzamide
CID 7981661
N-benzyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzamide
CID 7981561
N-benzyl-2-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide
CID 7981594
N-[1-(2-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)acetamide
CID 24543941
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-benzylbenzoate
CID 7809595
2-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 4884296
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
N-benzyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78933839

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide?
The IUPAC name of N-benzyl-2-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide (CID 7981698) is N-benzyl-2-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for N-benzyl-2-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide?
The canonical SMILES for N-benzyl-2-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide is C[C@@H](NC(=O)COc1ccccc1C(=O)NCc1ccccc1)c1ccccc1Cl.
What is the InChIKey of N-benzyl-2-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide?
The InChIKey is OIFSDUTUZITJBS-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c1-17(19-11-5-7-13-21(19)25)27-23(28)16-30-22-14-8-6-12-20(22)24(29)26-15-18-9-3-2-4-10-18/h2-14,17H,15-16H2,1H3,(H,26,29)(H,27,28)/t17-/m1/s1.
What are the key properties of N-benzyl-2-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide?
N-benzyl-2-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide has a molecular weight of 422.91 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 7981698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).