[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate

C15H13Cl2NO4 — CID 9384659

IUPAC[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)O[C@H](C)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl2NO4/c1-8-10(6-7-21-8)15(20)22-9(2)14(19)18-13-11(16)4-3-5-12(13)17/h3-7,9H,1-2H3,(H,18,19)/t9-/m1/s1
InChIKeyOFZPPFPPWWJVHK-SECBINFHSA-N
MW342.18 g/mol
LogP4.08
Rot. Bonds4

About [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate

[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate (PubChem CID 9384659) has the molecular formula C15H13Cl2NO4 and a molecular weight of 342.18 g/mol. Its IUPAC name is [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
PubChem CID9384659
Molecular FormulaC15H13Cl2NO4
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)O[C@H](C)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl2NO4/c1-8-10(6-7-21-8)15(20)22-9(2)14(19)18-13-11(16)4-3-5-12(13)17/h3-7,9H,1-2H3,(H,18,19)/t9-/m1/s1
InChIKeyOFZPPFPPWWJVHK-SECBINFHSA-N
XLogP4.08
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 9384720
[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 8968551
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 8968580
[1-(4-bromoanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 55385781
[1-(4-ethylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 18197418
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-methylfuran-3-carboxylate
CID 8968505
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 7663588
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 17443893
[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 8975876
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 9384726
[(2R)-1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl] 2-hydroxybenzoate
CID 7797906
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477035

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate?
The IUPAC name of [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate (CID 9384659) is [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate.
What is the SMILES notation for [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate?
The canonical SMILES for [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate is Cc1occc1C(=O)O[C@H](C)C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate?
The InChIKey is OFZPPFPPWWJVHK-SECBINFHSA-N. The full InChI is InChI=1S/C15H13Cl2NO4/c1-8-10(6-7-21-8)15(20)22-9(2)14(19)18-13-11(16)4-3-5-12(13)17/h3-7,9H,1-2H3,(H,18,19)/t9-/m1/s1.
What are the key properties of [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate?
[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate has a molecular weight of 342.18 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate is sourced from PubChem (CID 9384659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).