2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]acetamide

C28H24N2O3 — CID 140517043

IUPAC2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]acetamide
SMILESCc1ccccc1C1C(C(=O)c2ccccc2)=CNC(CC(N)=O)=C1C(=O)c1ccccc1
InChIInChI=1S/C28H24N2O3/c1-18-10-8-9-15-21(18)25-22(27(32)19-11-4-2-5-12-19)17-30-23(16-24(29)31)26(25)28(33)20-13-6-3-7-14-20/h2-15,17,25,30H,16H2,1H3,(H2,29,31)
InChIKeyYWVIMFNBIQYPFK-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.46
Rot. Bonds7

About 2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]acetamide

2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]acetamide (PubChem CID 140517043) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]acetamide.

Molecular Properties

Compound Name2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]acetamide
PubChem CID140517043
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC Name2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]acetamide
SMILESCc1ccccc1C1C(C(=O)c2ccccc2)=CNC(CC(N)=O)=C1C(=O)c1ccccc1
InChIInChI=1S/C28H24N2O3/c1-18-10-8-9-15-21(18)25-22(27(32)19-11-4-2-5-12-19)17-30-23(16-24(29)31)26(25)28(33)20-13-6-3-7-14-20/h2-15,17,25,30H,16H2,1H3,(H2,29,31)
InChIKeyYWVIMFNBIQYPFK-UHFFFAOYSA-N
XLogP4.46
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]-N,N-dimethylacetamide
CID 69411201
[5-benzoyl-1-benzyl-4-(2-methylphenyl)-4H-pyridin-3-yl]-phenylmethanone
CID 16739117
methyl 2-[3,5-dibenzoyl-4-(2-methylphenyl)-4H-pyridin-1-yl]acetate
CID 16738913
dimethyl 4-(2-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 703903
[4-methyl-6-(2-methylphenyl)-3-propyl-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]-phenylmethanone
CID 110527763
2-(2-benzoyl-3-methoxyphenyl)acetamide
CID 174500242
1-aminopropan-2-one;(2-methylphenyl)-phenylmethanone
CID 143285715
ethane;4-phenyl-5-sulfanyl-6-(sulfanylmethyl)-1,4-dihydropyridine-3-carboxylic acid
CID 142038788
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
2-(4,5-dimethyl-9H-fluoren-9-yl)acetic acid
CID 82578908
(2R,3S)-3-(2-methylphenyl)oxirane-2-carboxamide
CID 55266155

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]acetamide?
The IUPAC name of 2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]acetamide (CID 140517043) is 2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]acetamide.
What is the SMILES notation for 2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]acetamide?
The canonical SMILES for 2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]acetamide is Cc1ccccc1C1C(C(=O)c2ccccc2)=CNC(CC(N)=O)=C1C(=O)c1ccccc1.
What is the InChIKey of 2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]acetamide?
The InChIKey is YWVIMFNBIQYPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O3/c1-18-10-8-9-15-21(18)25-22(27(32)19-11-4-2-5-12-19)17-30-23(16-24(29)31)26(25)28(33)20-13-6-3-7-14-20/h2-15,17,25,30H,16H2,1H3,(H2,29,31).
What are the key properties of 2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]acetamide?
2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]acetamide has a molecular weight of 436.51 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]acetamide is sourced from PubChem (CID 140517043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).