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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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).