5-(2-chlorophenyl)-2-methyl-1-propylpyrrole-3-carboxamide

C15H17ClN2O — CID 3854716

IUPAC5-(2-chlorophenyl)-2-methyl-1-propylpyrrole-3-carboxamide
SMILESCCCn1c(-c2ccccc2Cl)cc(C(N)=O)c1C
InChIInChI=1S/C15H17ClN2O/c1-3-8-18-10(2)12(15(17)19)9-14(18)11-6-4-5-7-13(11)16/h4-7,9H,3,8H2,1-2H3,(H2,17,19)
InChIKeyITASRPPZGSDYMM-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.63
Rot. Bonds4

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

5-(2-chlorophenyl)-2-methyl-1-propylpyrrole-3-carboxamide (PubChem CID 3854716) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-methyl-1-propylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-methyl-1-propylpyrrole-3-carboxamide
PubChem CID3854716
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name5-(2-chlorophenyl)-2-methyl-1-propylpyrrole-3-carboxamide
SMILESCCCn1c(-c2ccccc2Cl)cc(C(N)=O)c1C
InChIInChI=1S/C15H17ClN2O/c1-3-8-18-10(2)12(15(17)19)9-14(18)11-6-4-5-7-13(11)16/h4-7,9H,3,8H2,1-2H3,(H2,17,19)
InChIKeyITASRPPZGSDYMM-UHFFFAOYSA-N
XLogP3.63
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-chlorophenyl)-2-methyl-1-(3-phenylpropyl)pyrrole-3-carboxamide
CID 3284921
1-[2-(2-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3811307
5-(2-methoxyphenyl)-1,2-dimethylpyrrole-3-carboxamide
CID 116828514
1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide
CID 3351123
1-butyl-5-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-2-methylpyrrole-3-carboxamide
CID 3735207
1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 47108355
5-(2-methoxyphenyl)-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 3821121
5-(2,5-dimethylphenyl)-2-methyl-1-propylpyrrole-3-carboxylic acid
CID 82093262
1-(3-ethoxypropyl)-2-methyl-5-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3752316
1-butyl-5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpyrrole-3-carboxamide
CID 3814014
1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrole-3-carboxamide
CID 69057259
1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxamide
CID 116828513

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-methyl-1-propylpyrrole-3-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-2-methyl-1-propylpyrrole-3-carboxamide (CID 3854716) is 5-(2-chlorophenyl)-2-methyl-1-propylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-2-methyl-1-propylpyrrole-3-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-2-methyl-1-propylpyrrole-3-carboxamide is CCCn1c(-c2ccccc2Cl)cc(C(N)=O)c1C.
What is the InChIKey of 5-(2-chlorophenyl)-2-methyl-1-propylpyrrole-3-carboxamide?
The InChIKey is ITASRPPZGSDYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-3-8-18-10(2)12(15(17)19)9-14(18)11-6-4-5-7-13(11)16/h4-7,9H,3,8H2,1-2H3,(H2,17,19).
What are the key properties of 5-(2-chlorophenyl)-2-methyl-1-propylpyrrole-3-carboxamide?
5-(2-chlorophenyl)-2-methyl-1-propylpyrrole-3-carboxamide has a molecular weight of 276.77 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-methyl-1-propylpyrrole-3-carboxamide is sourced from PubChem (CID 3854716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).