[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-benzylbenzoate

C24H22ClNO3 — CID 7809595

IUPAC[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-benzylbenzoate
SMILESC[C@@H](NC(=O)COC(=O)c1ccccc1Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C24H22ClNO3/c1-17(20-12-7-8-14-22(20)25)26-23(27)16-29-24(28)21-13-6-5-11-19(21)15-18-9-3-2-4-10-18/h2-14,17H,15-16H2,1H3,(H,26,27)/t17-/m1/s1
InChIKeyROSBYDURXNOMNY-QGZVFWFLSA-N
MW407.90 g/mol
LogP4.97
Rot. Bonds7

About [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-benzylbenzoate

[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-benzylbenzoate (PubChem CID 7809595) has the molecular formula C24H22ClNO3 and a molecular weight of 407.90 g/mol. Its IUPAC name is [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-benzylbenzoate.

Molecular Properties

Compound Name[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-benzylbenzoate
PubChem CID7809595
Molecular FormulaC24H22ClNO3
Molecular Weight407.90 g/mol
Exact Mass407.13
IUPAC Name[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-benzylbenzoate
SMILESC[C@@H](NC(=O)COC(=O)c1ccccc1Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C24H22ClNO3/c1-17(20-12-7-8-14-22(20)25)26-23(27)16-29-24(28)21-13-6-5-11-19(21)15-18-9-3-2-4-10-18/h2-14,17H,15-16H2,1H3,(H,26,27)/t17-/m1/s1
InChIKeyROSBYDURXNOMNY-QGZVFWFLSA-N
XLogP4.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-benzylbenzoate with MolForge

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Related Compounds

[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(methylamino)benzoate
CID 7953788
[2-(methylamino)-2-oxoethyl] 2-benzylbenzoate
CID 18074052
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 7522833
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7603347
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870817
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 8792467
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 7844560
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 3,4-dichlorobenzoate
CID 7873545
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-methylbenzoate
CID 7980174
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8607480
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-bromobenzoate
CID 7889701
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 7486648

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-benzylbenzoate?
The IUPAC name of [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-benzylbenzoate (CID 7809595) is [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-benzylbenzoate.
What is the SMILES notation for [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-benzylbenzoate?
The canonical SMILES for [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-benzylbenzoate is C[C@@H](NC(=O)COC(=O)c1ccccc1Cc1ccccc1)c1ccccc1Cl.
What is the InChIKey of [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-benzylbenzoate?
The InChIKey is ROSBYDURXNOMNY-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H22ClNO3/c1-17(20-12-7-8-14-22(20)25)26-23(27)16-29-24(28)21-13-6-5-11-19(21)15-18-9-3-2-4-10-18/h2-14,17H,15-16H2,1H3,(H,26,27)/t17-/m1/s1.
What are the key properties of [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-benzylbenzoate?
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-benzylbenzoate has a molecular weight of 407.90 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-benzylbenzoate is sourced from PubChem (CID 7809595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).