[4-[3-(1,3-dioxolan-2-yl)anilino]phenyl]-phenylmethanone

C22H19NO3 — CID 11348524

IUPAC[4-[3-(1,3-dioxolan-2-yl)anilino]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Nc2cccc(C3OCCO3)c2)cc1
InChIInChI=1S/C22H19NO3/c24-21(16-5-2-1-3-6-16)17-9-11-19(12-10-17)23-20-8-4-7-18(15-20)22-25-13-14-26-22/h1-12,15,22-23H,13-14H2
InChIKeyIWHFRJCKJJTVGG-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.71
Rot. Bonds5

About [4-[3-(1,3-dioxolan-2-yl)anilino]phenyl]-phenylmethanone

[4-[3-(1,3-dioxolan-2-yl)anilino]phenyl]-phenylmethanone (PubChem CID 11348524) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is [4-[3-(1,3-dioxolan-2-yl)anilino]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[3-(1,3-dioxolan-2-yl)anilino]phenyl]-phenylmethanone
PubChem CID11348524
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name[4-[3-(1,3-dioxolan-2-yl)anilino]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Nc2cccc(C3OCCO3)c2)cc1
InChIInChI=1S/C22H19NO3/c24-21(16-5-2-1-3-6-16)17-9-11-19(12-10-17)23-20-8-4-7-18(15-20)22-25-13-14-26-22/h1-12,15,22-23H,13-14H2
InChIKeyIWHFRJCKJJTVGG-UHFFFAOYSA-N
XLogP4.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(1,3-dioxolan-2-yl)anilino]phenyl]-phenylmethanone?
The IUPAC name of [4-[3-(1,3-dioxolan-2-yl)anilino]phenyl]-phenylmethanone (CID 11348524) is [4-[3-(1,3-dioxolan-2-yl)anilino]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[3-(1,3-dioxolan-2-yl)anilino]phenyl]-phenylmethanone?
The canonical SMILES for [4-[3-(1,3-dioxolan-2-yl)anilino]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(Nc2cccc(C3OCCO3)c2)cc1.
What is the InChIKey of [4-[3-(1,3-dioxolan-2-yl)anilino]phenyl]-phenylmethanone?
The InChIKey is IWHFRJCKJJTVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c24-21(16-5-2-1-3-6-16)17-9-11-19(12-10-17)23-20-8-4-7-18(15-20)22-25-13-14-26-22/h1-12,15,22-23H,13-14H2.
What are the key properties of [4-[3-(1,3-dioxolan-2-yl)anilino]phenyl]-phenylmethanone?
[4-[3-(1,3-dioxolan-2-yl)anilino]phenyl]-phenylmethanone has a molecular weight of 345.40 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1,3-dioxolan-2-yl)anilino]phenyl]-phenylmethanone is sourced from PubChem (CID 11348524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).