[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-methylfuran-3-carboxylate

C16H16ClNO4 — CID 7664310

IUPAC[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)OCC(=O)N[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO4/c1-10(12-3-5-13(17)6-4-12)18-15(19)9-22-16(20)14-7-8-21-11(14)2/h3-8,10H,9H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyGKERFDHNAURNOV-JTQLQIEISA-N
MW321.76 g/mol
LogP3.28
Rot. Bonds5

About [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-methylfuran-3-carboxylate

[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-methylfuran-3-carboxylate (PubChem CID 7664310) has the molecular formula C16H16ClNO4 and a molecular weight of 321.76 g/mol. Its IUPAC name is [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-methylfuran-3-carboxylate
PubChem CID7664310
Molecular FormulaC16H16ClNO4
Molecular Weight321.76 g/mol
Exact Mass321.08
IUPAC Name[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)OCC(=O)N[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO4/c1-10(12-3-5-13(17)6-4-12)18-15(19)9-22-16(20)14-7-8-21-11(14)2/h3-8,10H,9H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyGKERFDHNAURNOV-JTQLQIEISA-N
XLogP3.28
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-methylfuran-3-carboxylate with MolForge

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Related Compounds

[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8969695
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] furan-2-carboxylate
CID 7814639
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 7873156
2-O-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506418
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8878593
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 7747579
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7663401
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7772041
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7772045
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-methylbenzoate
CID 7980169
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-difluorobenzoate
CID 7764132
[2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 95796841

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-methylfuran-3-carboxylate?
The IUPAC name of [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-methylfuran-3-carboxylate (CID 7664310) is [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-methylfuran-3-carboxylate.
What is the SMILES notation for [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-methylfuran-3-carboxylate?
The canonical SMILES for [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-methylfuran-3-carboxylate is Cc1occc1C(=O)OCC(=O)N[C@@H](C)c1ccc(Cl)cc1.
What is the InChIKey of [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-methylfuran-3-carboxylate?
The InChIKey is GKERFDHNAURNOV-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16ClNO4/c1-10(12-3-5-13(17)6-4-12)18-15(19)9-22-16(20)14-7-8-21-11(14)2/h3-8,10H,9H2,1-2H3,(H,18,19)/t10-/m0/s1.
What are the key properties of [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-methylfuran-3-carboxylate?
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-methylfuran-3-carboxylate has a molecular weight of 321.76 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-methylfuran-3-carboxylate is sourced from PubChem (CID 7664310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).