[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate

C14H16ClFN2O4 — CID 8664509

IUPAC[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate
SMILESCCNC(=O)[C@@H](C)NC(=O)COC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C14H16ClFN2O4/c1-3-17-13(20)8(2)18-12(19)7-22-14(21)10-5-4-9(15)6-11(10)16/h4-6,8H,3,7H2,1-2H3,(H,17,20)(H,18,19)/t8-/m1/s1
InChIKeyDBYSRBIWSGMBBF-MRVPVSSYSA-N
MW330.74 g/mol
LogP1.28
Rot. Bonds6

About [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate

[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate (PubChem CID 8664509) has the molecular formula C14H16ClFN2O4 and a molecular weight of 330.74 g/mol. Its IUPAC name is [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate.

Molecular Properties

Compound Name[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate
PubChem CID8664509
Molecular FormulaC14H16ClFN2O4
Molecular Weight330.74 g/mol
Exact Mass330.08
IUPAC Name[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate
SMILESCCNC(=O)[C@@H](C)NC(=O)COC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C14H16ClFN2O4/c1-3-17-13(20)8(2)18-12(19)7-22-14(21)10-5-4-9(15)6-11(10)16/h4-6,8H,3,7H2,1-2H3,(H,17,20)(H,18,19)/t8-/m1/s1
InChIKeyDBYSRBIWSGMBBF-MRVPVSSYSA-N
XLogP1.28
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.74
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate with MolForge

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Related Compounds

[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 9286413
[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 8847713
4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 24683116
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 9203564
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 3-fluorobenzoate
CID 9198588
(2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-ethylpropanamide
CID 9229551
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide
CID 24683076
[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] benzoate
CID 9018937
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-difluorobenzoate
CID 7764132
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620443
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8664503
[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 5-bromo-2-chlorobenzoate
CID 9081222

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate?
The IUPAC name of [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate (CID 8664509) is [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate.
What is the SMILES notation for [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate?
The canonical SMILES for [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate is CCNC(=O)[C@@H](C)NC(=O)COC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate?
The InChIKey is DBYSRBIWSGMBBF-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H16ClFN2O4/c1-3-17-13(20)8(2)18-12(19)7-22-14(21)10-5-4-9(15)6-11(10)16/h4-6,8H,3,7H2,1-2H3,(H,17,20)(H,18,19)/t8-/m1/s1.
What are the key properties of [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate?
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate has a molecular weight of 330.74 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate is sourced from PubChem (CID 8664509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).