[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate

C17H16ClNO5 — CID 7870817

IUPAC[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate
SMILESC[C@@H](NC(=O)COC(=O)c1ccc(O)cc1O)c1ccccc1Cl
InChIInChI=1S/C17H16ClNO5/c1-10(12-4-2-3-5-14(12)18)19-16(22)9-24-17(23)13-7-6-11(20)8-15(13)21/h2-8,10,20-21H,9H2,1H3,(H,19,22)/t10-/m1/s1
InChIKeyKKYCSSCKUMZCAH-SNVBAGLBSA-N
MW349.77 g/mol
LogP2.79
Rot. Bonds5

About [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate

[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate (PubChem CID 7870817) has the molecular formula C17H16ClNO5 and a molecular weight of 349.77 g/mol. Its IUPAC name is [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate.

Molecular Properties

Compound Name[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate
PubChem CID7870817
Molecular FormulaC17H16ClNO5
Molecular Weight349.77 g/mol
Exact Mass349.07
IUPAC Name[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate
SMILESC[C@@H](NC(=O)COC(=O)c1ccc(O)cc1O)c1ccccc1Cl
InChIInChI=1S/C17H16ClNO5/c1-10(12-4-2-3-5-14(12)18)19-16(22)9-24-17(23)13-7-6-11(20)8-15(13)21/h2-8,10,20-21H,9H2,1H3,(H,19,22)/t10-/m1/s1
InChIKeyKKYCSSCKUMZCAH-SNVBAGLBSA-N
XLogP2.79
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate with MolForge

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Related Compounds

[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7209540
N-[1-(2-chlorophenyl)ethyl]-2,4-dihydroxybenzamide
CID 103600135
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(methylamino)benzoate
CID 7953788
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 3,4-dichlorobenzoate
CID 7873545
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 7844560
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 7486648
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-benzylbenzoate
CID 7809595
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-methylbenzoate
CID 7980174
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7603347
[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] 1-oxidopyridin-1-ium-4-carboxylate
CID 8792467

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate?
The IUPAC name of [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate (CID 7870817) is [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate.
What is the SMILES notation for [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate?
The canonical SMILES for [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate is C[C@@H](NC(=O)COC(=O)c1ccc(O)cc1O)c1ccccc1Cl.
What is the InChIKey of [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate?
The InChIKey is KKYCSSCKUMZCAH-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H16ClNO5/c1-10(12-4-2-3-5-14(12)18)19-16(22)9-24-17(23)13-7-6-11(20)8-15(13)21/h2-8,10,20-21H,9H2,1H3,(H,19,22)/t10-/m1/s1.
What are the key properties of [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate?
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate has a molecular weight of 349.77 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate is sourced from PubChem (CID 7870817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).