4-(4-bromophenyl)-1-(3-ethoxypropyl)-5-ethyl-2-methylpyrrole-3-carboxamide

C19H25BrN2O2 — CID 3843034

IUPAC4-(4-bromophenyl)-1-(3-ethoxypropyl)-5-ethyl-2-methylpyrrole-3-carboxamide
SMILESCCOCCCn1c(C)c(C(N)=O)c(-c2ccc(Br)cc2)c1CC
InChIInChI=1S/C19H25BrN2O2/c1-4-16-18(14-7-9-15(20)10-8-14)17(19(21)23)13(3)22(16)11-6-12-24-5-2/h7-10H,4-6,11-12H2,1-3H3,(H2,21,23)
InChIKeyMXBLTEXVFCDGLH-UHFFFAOYSA-N
MW393.33 g/mol
LogP4.31
Rot. Bonds8

About 4-(4-bromophenyl)-1-(3-ethoxypropyl)-5-ethyl-2-methylpyrrole-3-carboxamide

4-(4-bromophenyl)-1-(3-ethoxypropyl)-5-ethyl-2-methylpyrrole-3-carboxamide (PubChem CID 3843034) has the molecular formula C19H25BrN2O2 and a molecular weight of 393.33 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-(3-ethoxypropyl)-5-ethyl-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-(3-ethoxypropyl)-5-ethyl-2-methylpyrrole-3-carboxamide
PubChem CID3843034
Molecular FormulaC19H25BrN2O2
Molecular Weight393.33 g/mol
Exact Mass392.11
IUPAC Name4-(4-bromophenyl)-1-(3-ethoxypropyl)-5-ethyl-2-methylpyrrole-3-carboxamide
SMILESCCOCCCn1c(C)c(C(N)=O)c(-c2ccc(Br)cc2)c1CC
InChIInChI=1S/C19H25BrN2O2/c1-4-16-18(14-7-9-15(20)10-8-14)17(19(21)23)13(3)22(16)11-6-12-24-5-2/h7-10H,4-6,11-12H2,1-3H3,(H2,21,23)
InChIKeyMXBLTEXVFCDGLH-UHFFFAOYSA-N
XLogP4.31
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-bromophenyl)-1-(3-ethoxypropyl)-2,4-dimethylpyrrole-3-carboxamide
CID 3849913
1-(3-ethoxypropyl)-2-methyl-5-propyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide
CID 3828892
methyl 4-[4-carbamoyl-2-ethyl-1-(3-hydroxypropyl)-5-methylpyrrol-3-yl]benzoate
CID 3781922
1-(3-ethoxypropyl)-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3867010
1-butyl-5-ethyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3773578
4-(4-cyanophenyl)-5-ethyl-2-methyl-1-undecylpyrrole-3-carboxamide
CID 3864069
methyl 4-(4-carbamoyl-2-ethyl-5-methyl-1-propylpyrrol-3-yl)benzoate
CID 3719108
1-[3-(dimethylamino)propyl]-5-ethyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 3759188
1-(3-ethoxypropyl)-2-methyl-4-(2-methylphenyl)-5-propylpyrrole-3-carboxamide
CID 3505110
5-butyl-4-(2-chlorophenyl)-1-(3-ethoxypropyl)-2-methylpyrrole-3-carboxamide
CID 3790315
5-butyl-1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3870995
1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3748137

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-(3-ethoxypropyl)-5-ethyl-2-methylpyrrole-3-carboxamide?
The IUPAC name of 4-(4-bromophenyl)-1-(3-ethoxypropyl)-5-ethyl-2-methylpyrrole-3-carboxamide (CID 3843034) is 4-(4-bromophenyl)-1-(3-ethoxypropyl)-5-ethyl-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 4-(4-bromophenyl)-1-(3-ethoxypropyl)-5-ethyl-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 4-(4-bromophenyl)-1-(3-ethoxypropyl)-5-ethyl-2-methylpyrrole-3-carboxamide is CCOCCCn1c(C)c(C(N)=O)c(-c2ccc(Br)cc2)c1CC.
What is the InChIKey of 4-(4-bromophenyl)-1-(3-ethoxypropyl)-5-ethyl-2-methylpyrrole-3-carboxamide?
The InChIKey is MXBLTEXVFCDGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN2O2/c1-4-16-18(14-7-9-15(20)10-8-14)17(19(21)23)13(3)22(16)11-6-12-24-5-2/h7-10H,4-6,11-12H2,1-3H3,(H2,21,23).
What are the key properties of 4-(4-bromophenyl)-1-(3-ethoxypropyl)-5-ethyl-2-methylpyrrole-3-carboxamide?
4-(4-bromophenyl)-1-(3-ethoxypropyl)-5-ethyl-2-methylpyrrole-3-carboxamide has a molecular weight of 393.33 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-(3-ethoxypropyl)-5-ethyl-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 3843034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).