[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate

C22H19ClN2O5 — CID 46625347

IUPAC[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
SMILESCC(OC(=O)c1ccc(NC(=O)c2ccco2)cc1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C22H19ClN2O5/c1-14(20(26)24-13-16-5-2-3-6-18(16)23)30-22(28)15-8-10-17(11-9-15)25-21(27)19-7-4-12-29-19/h2-12,14H,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyNSXZGJMQTVPQIT-UHFFFAOYSA-N
MW426.86 g/mol
LogP4.05
Rot. Bonds7

About [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate

[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate (PubChem CID 46625347) has the molecular formula C22H19ClN2O5 and a molecular weight of 426.86 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
PubChem CID46625347
Molecular FormulaC22H19ClN2O5
Molecular Weight426.86 g/mol
Exact Mass426.10
IUPAC Name[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
SMILESCC(OC(=O)c1ccc(NC(=O)c2ccco2)cc1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C22H19ClN2O5/c1-14(20(26)24-13-16-5-2-3-6-18(16)23)30-22(28)15-8-10-17(11-9-15)25-21(27)19-7-4-12-29-19/h2-12,14H,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyNSXZGJMQTVPQIT-UHFFFAOYSA-N
XLogP4.05
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.86
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8993265
[(2R)-1-oxo-1-phenylpropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 40642570
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-iodobenzoate
CID 55417735
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8993290
[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 55422783
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 46630031
[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 40726871
[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8909413
N-[4-[(2-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 9184242
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8946163
propan-2-yl 4-[(2-chlorophenyl)methylamino]benzoate
CID 43231429
N-[(2-chlorophenyl)methylcarbamothioyl]furan-2-carboxamide
CID 17194361

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate?
The IUPAC name of [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate (CID 46625347) is [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate?
The canonical SMILES for [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate is CC(OC(=O)c1ccc(NC(=O)c2ccco2)cc1)C(=O)NCc1ccccc1Cl.
What is the InChIKey of [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate?
The InChIKey is NSXZGJMQTVPQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O5/c1-14(20(26)24-13-16-5-2-3-6-18(16)23)30-22(28)15-8-10-17(11-9-15)25-21(27)19-7-4-12-29-19/h2-12,14H,13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate?
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate has a molecular weight of 426.86 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 46625347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).