[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] furan-2-carboxylate

C14H11Cl2NO4 — CID 2386762

IUPAC[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] furan-2-carboxylate
SMILESC[C@@H](OC(=O)c1ccco1)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2NO4/c1-8(21-14(19)12-3-2-6-20-12)13(18)17-11-5-4-9(15)7-10(11)16/h2-8H,1H3,(H,17,18)/t8-/m1/s1
InChIKeyCSUWZJCKOKZILO-MRVPVSSYSA-N
MW328.15 g/mol
LogP3.77
Rot. Bonds4

About [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] furan-2-carboxylate

[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] furan-2-carboxylate (PubChem CID 2386762) has the molecular formula C14H11Cl2NO4 and a molecular weight of 328.15 g/mol. Its IUPAC name is [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] furan-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] furan-2-carboxylate
PubChem CID2386762
Molecular FormulaC14H11Cl2NO4
Molecular Weight328.15 g/mol
Exact Mass327.01
IUPAC Name[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] furan-2-carboxylate
SMILESC[C@@H](OC(=O)c1ccco1)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2NO4/c1-8(21-14(19)12-3-2-6-20-12)13(18)17-11-5-4-9(15)7-10(11)16/h2-8H,1H3,(H,17,18)/t8-/m1/s1
InChIKeyCSUWZJCKOKZILO-MRVPVSSYSA-N
XLogP3.77
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 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

[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] benzoate
CID 2516751
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 51478032
[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate
CID 6035076
[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 55422783
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 4266823
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 2437550
[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-amino-4-chlorobenzoate
CID 5003205
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2364634
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 7879875
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] furan-2-carboxylate
CID 2673600
N-(2,4-dichlorophenyl)-2-(3-ethylphenoxy)propanamide
CID 53267195

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] furan-2-carboxylate?
The IUPAC name of [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] furan-2-carboxylate (CID 2386762) is [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] furan-2-carboxylate.
What is the SMILES notation for [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] furan-2-carboxylate?
The canonical SMILES for [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] furan-2-carboxylate is C[C@@H](OC(=O)c1ccco1)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] furan-2-carboxylate?
The InChIKey is CSUWZJCKOKZILO-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H11Cl2NO4/c1-8(21-14(19)12-3-2-6-20-12)13(18)17-11-5-4-9(15)7-10(11)16/h2-8H,1H3,(H,17,18)/t8-/m1/s1.
What are the key properties of [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] furan-2-carboxylate?
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] furan-2-carboxylate has a molecular weight of 328.15 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] furan-2-carboxylate is sourced from PubChem (CID 2386762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).