(4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone

C20H17NO2 — CID 86183747

IUPAC(4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone
SMILESCc1[nH]c(C)c(C(=O)c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C20H17NO2/c1-13-17(19(22)15-9-5-3-6-10-15)18(14(2)21-13)20(23)16-11-7-4-8-12-16/h3-12,21H,1-2H3
InChIKeyALVKEEUSSIGWRA-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.09
Rot. Bonds4

About (4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone

(4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone (PubChem CID 86183747) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is (4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone
PubChem CID86183747
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name(4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone
SMILESCc1[nH]c(C)c(C(=O)c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C20H17NO2/c1-13-17(19(22)15-9-5-3-6-10-15)18(14(2)21-13)20(23)16-11-7-4-8-12-16/h3-12,21H,1-2H3
InChIKeyALVKEEUSSIGWRA-UHFFFAOYSA-N
XLogP4.09
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
[4,5-dimethyl-2-(trifluoromethyl)-1H-pyrrol-3-yl]-phenylmethanone
CID 51066147
bis(diphenylmethanone);dihydrochloride
CID 69107757
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
diphenylmethanone;gold
CID 174931146
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
diphenylmethanone;ethane;toluene
CID 157406780
phenyl-(2,3,6-trimethylphenyl)methanone
CID 14151231
(2-methyl-1H-pyrrol-3-yl)-phenylmethanone
CID 15883182
acetic acid;diphenylmethanone;hydrate
CID 161284686

Frequently Asked Questions

What is the IUPAC name of (4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone?
The IUPAC name of (4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone (CID 86183747) is (4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone.
What is the SMILES notation for (4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone?
The canonical SMILES for (4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone is Cc1[nH]c(C)c(C(=O)c2ccccc2)c1C(=O)c1ccccc1.
What is the InChIKey of (4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone?
The InChIKey is ALVKEEUSSIGWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-13-17(19(22)15-9-5-3-6-10-15)18(14(2)21-13)20(23)16-11-7-4-8-12-16/h3-12,21H,1-2H3.
What are the key properties of (4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone?
(4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone has a molecular weight of 303.36 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone is sourced from PubChem (CID 86183747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).