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

C15H14ClNO4 — CID 7814639

IUPAC[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] furan-2-carboxylate
SMILESC[C@H](NC(=O)COC(=O)c1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO4/c1-10(11-4-6-12(16)7-5-11)17-14(18)9-21-15(19)13-3-2-8-20-13/h2-8,10H,9H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyMPRWEQBQIZLHSD-JTQLQIEISA-N
MW307.73 g/mol
LogP2.97
Rot. Bonds5

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

[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] furan-2-carboxylate (PubChem CID 7814639) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] furan-2-carboxylate
PubChem CID7814639
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] furan-2-carboxylate
SMILESC[C@H](NC(=O)COC(=O)c1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO4/c1-10(11-4-6-12(16)7-5-11)17-14(18)9-21-15(19)13-3-2-8-20-13/h2-8,10H,9H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyMPRWEQBQIZLHSD-JTQLQIEISA-N
XLogP2.97
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909258
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7664310
2-O-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506418
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-methylbenzoate
CID 7980169
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8732435
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 7873156
[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 4-chlorobenzoate
CID 2629341
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820806
N-[1-(4-chlorophenyl)ethyl]-2-methoxyacetamide
CID 18374039
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-chloropyridine-4-carboxylate
CID 55459434
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 55314980
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(furan-2-carbonylamino)acetate
CID 7880281

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] furan-2-carboxylate (CID 7814639) is [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] furan-2-carboxylate is C[C@H](NC(=O)COC(=O)c1ccco1)c1ccc(Cl)cc1.
What is the InChIKey of [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] furan-2-carboxylate?
The InChIKey is MPRWEQBQIZLHSD-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-10(11-4-6-12(16)7-5-11)17-14(18)9-21-15(19)13-3-2-8-20-13/h2-8,10H,9H2,1H3,(H,17,18)/t10-/m0/s1.
What are the key properties of [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] furan-2-carboxylate?
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] furan-2-carboxylate has a molecular weight of 307.73 g/mol, XLogP of 2.97, 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] furan-2-carboxylate is sourced from PubChem (CID 7814639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).