2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]propanamide

C22H22N2O3 — CID 6623393

IUPAC2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)C(C)n1cccc1C(=O)c1ccccc1
InChIInChI=1S/C22H22N2O3/c1-16(22(26)23-15-18-11-6-7-13-20(18)27-2)24-14-8-12-19(24)21(25)17-9-4-3-5-10-17/h3-14,16H,15H2,1-2H3,(H,23,26)
InChIKeyCROMAFHCQVOYNP-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.61
Rot. Bonds7

About 2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]propanamide

2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 6623393) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID6623393
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)C(C)n1cccc1C(=O)c1ccccc1
InChIInChI=1S/C22H22N2O3/c1-16(22(26)23-15-18-11-6-7-13-20(18)27-2)24-14-8-12-19(24)21(25)17-9-4-3-5-10-17/h3-14,16H,15H2,1-2H3,(H,23,26)
InChIKeyCROMAFHCQVOYNP-UHFFFAOYSA-N
XLogP3.61
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 5442665
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CID 71616297
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CID 44191178
CID 44191178
CID 49856086
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CID 51003130
CID 51003130
CID 68187495
CID 68187495
CID 71616054
CID 71616054
CID 118498201
CID 118498201
CID 118498266
CID 118498266
CID 118507411
CID 118507411
CID 6880157
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CID 858406
CID 858406

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]propanamide (CID 6623393) is 2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)C(C)n1cccc1C(=O)c1ccccc1.
What is the InChIKey of 2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is CROMAFHCQVOYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-16(22(26)23-15-18-11-6-7-13-20(18)27-2)24-14-8-12-19(24)21(25)17-9-4-3-5-10-17/h3-14,16H,15H2,1-2H3,(H,23,26).
What are the key properties of 2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]propanamide?
2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 362.43 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 6623393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).