5-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide

C19H16ClFN2O4 — CID 9091736

IUPAC5-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)oc2ccc(Cl)cc12
InChIInChI=1S/C19H16ClFN2O4/c1-10-15-9-12(20)3-8-16(15)27-17(10)19(25)23-22-18(24)11(2)26-14-6-4-13(21)5-7-14/h3-9,11H,1-2H3,(H,22,24)(H,23,25)/t11-/m0/s1
InChIKeyQCRUZCOHQWTGJA-NSHDSACASA-N
MW390.80 g/mol
LogP3.76
Rot. Bonds4

About 5-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide

5-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 9091736) has the molecular formula C19H16ClFN2O4 and a molecular weight of 390.80 g/mol. Its IUPAC name is 5-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name5-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID9091736
Molecular FormulaC19H16ClFN2O4
Molecular Weight390.80 g/mol
Exact Mass390.08
IUPAC Name5-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)oc2ccc(Cl)cc12
InChIInChI=1S/C19H16ClFN2O4/c1-10-15-9-12(20)3-8-16(15)27-17(10)19(25)23-22-18(24)11(2)26-14-6-4-13(21)5-7-14/h3-9,11H,1-2H3,(H,22,24)(H,23,25)/t11-/m0/s1
InChIKeyQCRUZCOHQWTGJA-NSHDSACASA-N
XLogP3.76
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.80
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of 5-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide (CID 9091736) is 5-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 5-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 5-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)oc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is QCRUZCOHQWTGJA-NSHDSACASA-N. The full InChI is InChI=1S/C19H16ClFN2O4/c1-10-15-9-12(20)3-8-16(15)27-17(10)19(25)23-22-18(24)11(2)26-14-6-4-13(21)5-7-14/h3-9,11H,1-2H3,(H,22,24)(H,23,25)/t11-/m0/s1.
What are the key properties of 5-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide?
5-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 390.80 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 9091736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).