N-[[3-[4-(1,3-dioxol-2-yl)phenyl]phenyl]methyl]benzamide

C23H19NO3 — CID 141050517

IUPACN-[[3-[4-(1,3-dioxol-2-yl)phenyl]phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(-c2ccc(C3OC=CO3)cc2)c1)c1ccccc1
InChIInChI=1S/C23H19NO3/c25-22(19-6-2-1-3-7-19)24-16-17-5-4-8-21(15-17)18-9-11-20(12-10-18)23-26-13-14-27-23/h1-15,23H,16H2,(H,24,25)
InChIKeyMAIUSJZSQUYGFI-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.80
Rot. Bonds5

About N-[[3-[4-(1,3-dioxol-2-yl)phenyl]phenyl]methyl]benzamide

N-[[3-[4-(1,3-dioxol-2-yl)phenyl]phenyl]methyl]benzamide (PubChem CID 141050517) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[[3-[4-(1,3-dioxol-2-yl)phenyl]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[3-[4-(1,3-dioxol-2-yl)phenyl]phenyl]methyl]benzamide
PubChem CID141050517
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC NameN-[[3-[4-(1,3-dioxol-2-yl)phenyl]phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(-c2ccc(C3OC=CO3)cc2)c1)c1ccccc1
InChIInChI=1S/C23H19NO3/c25-22(19-6-2-1-3-7-19)24-16-17-5-4-8-21(15-17)18-9-11-20(12-10-18)23-26-13-14-27-23/h1-15,23H,16H2,(H,24,25)
InChIKeyMAIUSJZSQUYGFI-UHFFFAOYSA-N
XLogP4.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 108767634
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CID 72848910
N-[[3-[4-[(2R,4R,6S)-4-[(dibenzylamino)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]benzamide
CID 6702843
N-benzyl-3-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 117087146
N-benzyl-3-(4-carbamoylphenyl)benzamide
CID 117092674
N-[[3-[4-(3-phenylphenoxy)butoxy]phenyl]methyl]benzamide
CID 173183634
N-[[3-[4-[(2S,4S,5R,6R)-4-[[benzyl(methyl)amino]methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]phenyl]methyl]benzamide
CID 6683409
N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 28638755
N-[[3-[4-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-(pyrimidin-2-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]phenyl]methyl]benzamide
CID 6694050
N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-(pyrimidin-2-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]phenyl]methyl]benzamide
CID 3303539
2-[[(2S,4S,6R)-2-[4-[3-(benzamidomethyl)phenyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid
CID 6696029
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CID 90875099

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(1,3-dioxol-2-yl)phenyl]phenyl]methyl]benzamide?
The IUPAC name of N-[[3-[4-(1,3-dioxol-2-yl)phenyl]phenyl]methyl]benzamide (CID 141050517) is N-[[3-[4-(1,3-dioxol-2-yl)phenyl]phenyl]methyl]benzamide.
What is the SMILES notation for N-[[3-[4-(1,3-dioxol-2-yl)phenyl]phenyl]methyl]benzamide?
The canonical SMILES for N-[[3-[4-(1,3-dioxol-2-yl)phenyl]phenyl]methyl]benzamide is O=C(NCc1cccc(-c2ccc(C3OC=CO3)cc2)c1)c1ccccc1.
What is the InChIKey of N-[[3-[4-(1,3-dioxol-2-yl)phenyl]phenyl]methyl]benzamide?
The InChIKey is MAIUSJZSQUYGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c25-22(19-6-2-1-3-7-19)24-16-17-5-4-8-21(15-17)18-9-11-20(12-10-18)23-26-13-14-27-23/h1-15,23H,16H2,(H,24,25).
What are the key properties of N-[[3-[4-(1,3-dioxol-2-yl)phenyl]phenyl]methyl]benzamide?
N-[[3-[4-(1,3-dioxol-2-yl)phenyl]phenyl]methyl]benzamide has a molecular weight of 357.41 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(1,3-dioxol-2-yl)phenyl]phenyl]methyl]benzamide is sourced from PubChem (CID 141050517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).