[3-amino-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone

C24H19Cl2NO5 — CID 59691884

IUPAC[3-amino-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(OC[C@H](O)CO)c3)ccc12
InChIInChI=1S/C24H19Cl2NO5/c25-15-5-7-18(20(26)10-15)23(30)24-22(27)19-6-4-14(9-21(19)32-24)13-2-1-3-17(8-13)31-12-16(29)11-28/h1-10,16,28-29H,11-12,27H2/t16-/m1/s1
InChIKeyNFYINVVZVOAHHE-MRXNPFEDSA-N
MW472.32 g/mol
LogP4.95
Rot. Bonds7

About [3-amino-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone

[3-amino-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone (PubChem CID 59691884) has the molecular formula C24H19Cl2NO5 and a molecular weight of 472.32 g/mol. Its IUPAC name is [3-amino-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[3-amino-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone
PubChem CID59691884
Molecular FormulaC24H19Cl2NO5
Molecular Weight472.32 g/mol
Exact Mass471.06
IUPAC Name[3-amino-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(OC[C@H](O)CO)c3)ccc12
InChIInChI=1S/C24H19Cl2NO5/c25-15-5-7-18(20(26)10-15)23(30)24-22(27)19-6-4-14(9-21(19)32-24)13-2-1-3-17(8-13)31-12-16(29)11-28/h1-10,16,28-29H,11-12,27H2/t16-/m1/s1
InChIKeyNFYINVVZVOAHHE-MRXNPFEDSA-N
XLogP4.95
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.32
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone?
The IUPAC name of [3-amino-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone (CID 59691884) is [3-amino-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for [3-amino-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone?
The canonical SMILES for [3-amino-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone is Nc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(OC[C@H](O)CO)c3)ccc12.
What is the InChIKey of [3-amino-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone?
The InChIKey is NFYINVVZVOAHHE-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H19Cl2NO5/c25-15-5-7-18(20(26)10-15)23(30)24-22(27)19-6-4-14(9-21(19)32-24)13-2-1-3-17(8-13)31-12-16(29)11-28/h1-10,16,28-29H,11-12,27H2/t16-/m1/s1.
What are the key properties of [3-amino-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone?
[3-amino-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone has a molecular weight of 472.32 g/mol, XLogP of 4.95, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 59691884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).