4-(4-chlorophenyl)-2-methyl-1-propan-2-yl-5-propylpyrrole-3-carboxamide

C18H23ClN2O — CID 3832600

IUPAC4-(4-chlorophenyl)-2-methyl-1-propan-2-yl-5-propylpyrrole-3-carboxamide
SMILESCCCc1c(-c2ccc(Cl)cc2)c(C(N)=O)c(C)n1C(C)C
InChIInChI=1S/C18H23ClN2O/c1-5-6-15-17(13-7-9-14(19)10-8-13)16(18(20)22)12(4)21(15)11(2)3/h7-11H,5-6H2,1-4H3,(H2,20,22)
InChIKeyJUROWJHTZGAGJU-UHFFFAOYSA-N
MW318.85 g/mol
LogP4.75
Rot. Bonds5

About 4-(4-chlorophenyl)-2-methyl-1-propan-2-yl-5-propylpyrrole-3-carboxamide

4-(4-chlorophenyl)-2-methyl-1-propan-2-yl-5-propylpyrrole-3-carboxamide (PubChem CID 3832600) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-methyl-1-propan-2-yl-5-propylpyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-methyl-1-propan-2-yl-5-propylpyrrole-3-carboxamide
PubChem CID3832600
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Name4-(4-chlorophenyl)-2-methyl-1-propan-2-yl-5-propylpyrrole-3-carboxamide
SMILESCCCc1c(-c2ccc(Cl)cc2)c(C(N)=O)c(C)n1C(C)C
InChIInChI=1S/C18H23ClN2O/c1-5-6-15-17(13-7-9-14(19)10-8-13)16(18(20)22)12(4)21(15)11(2)3/h7-11H,5-6H2,1-4H3,(H2,20,22)
InChIKeyJUROWJHTZGAGJU-UHFFFAOYSA-N
XLogP4.75
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[4-carbamoyl-3-(4-chlorophenyl)-5-methyl-1-propan-2-ylpyrrol-2-yl]propanoate
CID 3675838
2-methyl-5-pentyl-4-(4-phenylphenyl)-1-propan-2-ylpyrrole-3-carboxamide
CID 4992439
4-(4-chlorophenyl)-5-ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3863874
2-methyl-1-(3-methylbutan-2-yl)-5-pentyl-4-phenylpyrrole-3-carboxamide
CID 3481691
1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3744481
2-methyl-4-(4-methylphenyl)-1-(2-phosphorosoethyl)-5-propylpyrrole-3-carboxamide
CID 59526415
methyl 4-(1-butyl-4-carbamoyl-5-methyl-2-propylpyrrol-3-yl)benzoate
CID 3578013
4-(4-cyanophenyl)-2-methyl-1,5-dipropylpyrrole-3-carboxamide
CID 5019028
5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3747323
2-(4-chlorophenyl)-5-methyl-4-propylthiophene-3-carboxamide
CID 143029603
1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3748137
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-phenyl-5-propylpyrrole-3-carboxamide
CID 3700219

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-methyl-1-propan-2-yl-5-propylpyrrole-3-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-2-methyl-1-propan-2-yl-5-propylpyrrole-3-carboxamide (CID 3832600) is 4-(4-chlorophenyl)-2-methyl-1-propan-2-yl-5-propylpyrrole-3-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-2-methyl-1-propan-2-yl-5-propylpyrrole-3-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-2-methyl-1-propan-2-yl-5-propylpyrrole-3-carboxamide is CCCc1c(-c2ccc(Cl)cc2)c(C(N)=O)c(C)n1C(C)C.
What is the InChIKey of 4-(4-chlorophenyl)-2-methyl-1-propan-2-yl-5-propylpyrrole-3-carboxamide?
The InChIKey is JUROWJHTZGAGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O/c1-5-6-15-17(13-7-9-14(19)10-8-13)16(18(20)22)12(4)21(15)11(2)3/h7-11H,5-6H2,1-4H3,(H2,20,22).
What are the key properties of 4-(4-chlorophenyl)-2-methyl-1-propan-2-yl-5-propylpyrrole-3-carboxamide?
4-(4-chlorophenyl)-2-methyl-1-propan-2-yl-5-propylpyrrole-3-carboxamide has a molecular weight of 318.85 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-methyl-1-propan-2-yl-5-propylpyrrole-3-carboxamide is sourced from PubChem (CID 3832600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).