1-[(3-chlorophenyl)methyl]-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide

C22H23ClN2O2 — CID 3702538

IUPAC1-[(3-chlorophenyl)methyl]-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide
SMILESCCCc1c(-c2cccc(O)c2)c(C(N)=O)c(C)n1Cc1cccc(Cl)c1
InChIInChI=1S/C22H23ClN2O2/c1-3-6-19-21(16-8-5-10-18(26)12-16)20(22(24)27)14(2)25(19)13-15-7-4-9-17(23)11-15/h4-5,7-12,26H,3,6,13H2,1-2H3,(H2,24,27)
InChIKeyFAWWYVAQTXFCFG-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.92
Rot. Bonds6

About 1-[(3-chlorophenyl)methyl]-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide

1-[(3-chlorophenyl)methyl]-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide (PubChem CID 3702538) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide
PubChem CID3702538
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name1-[(3-chlorophenyl)methyl]-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide
SMILESCCCc1c(-c2cccc(O)c2)c(C(N)=O)c(C)n1Cc1cccc(Cl)c1
InChIInChI=1S/C22H23ClN2O2/c1-3-6-19-21(16-8-5-10-18(26)12-16)20(22(24)27)14(2)25(19)13-15-7-4-9-17(23)11-15/h4-5,7-12,26H,3,6,13H2,1-2H3,(H2,24,27)
InChIKeyFAWWYVAQTXFCFG-UHFFFAOYSA-N
XLogP4.92
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenyl)-5-butyl-1-[(3-chlorophenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 3287721
1-[(3-chlorophenyl)methyl]-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3415171
4-(3-hydroxyphenyl)-2-methyl-5-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 4987970
1-benzyl-2-methyl-5-propyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide
CID 4988191
methyl 3-[4-carbamoyl-1-[(3-chlorophenyl)methyl]-3-(4-methoxy-3-methylphenyl)-5-methylpyrrol-2-yl]propanoate
CID 3591611
methyl 3-[4-carbamoyl-3-(2-chlorophenyl)-1-[(3-chlorophenyl)methyl]-5-methylpyrrol-2-yl]propanoate
CID 3803967
1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3690557
4-(3-hydroxyphenyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3737651
1-benzyl-5-butyl-2-methyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide
CID 3481918
5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide;5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)pyrrole-3-carboxamide;methane;1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)-5-propylpyrrole-3-carboxamide
CID 161104087
1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3797302
4-(4-cyanophenyl)-1-[(3,4-difluorophenyl)methyl]-2-methyl-5-propylpyrrole-3-carboxamide
CID 3734908

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide (CID 3702538) is 1-[(3-chlorophenyl)methyl]-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide is CCCc1c(-c2cccc(O)c2)c(C(N)=O)c(C)n1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide?
The InChIKey is FAWWYVAQTXFCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-3-6-19-21(16-8-5-10-18(26)12-16)20(22(24)27)14(2)25(19)13-15-7-4-9-17(23)11-15/h4-5,7-12,26H,3,6,13H2,1-2H3,(H2,24,27).
What are the key properties of 1-[(3-chlorophenyl)methyl]-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide?
1-[(3-chlorophenyl)methyl]-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide has a molecular weight of 382.89 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide is sourced from PubChem (CID 3702538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).