4-bromo-N-[(2-ethylphenyl)methyl]-1-propylpyrrole-2-carboxamide

C17H21BrN2O — CID 64694880

IUPAC4-bromo-N-[(2-ethylphenyl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCc1ccccc1CC
InChIInChI=1S/C17H21BrN2O/c1-3-9-20-12-15(18)10-16(20)17(21)19-11-14-8-6-5-7-13(14)4-2/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,19,21)
InChIKeyBMHPYJXOYMPQGO-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.15
Rot. Bonds6

About 4-bromo-N-[(2-ethylphenyl)methyl]-1-propylpyrrole-2-carboxamide

4-bromo-N-[(2-ethylphenyl)methyl]-1-propylpyrrole-2-carboxamide (PubChem CID 64694880) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 4-bromo-N-[(2-ethylphenyl)methyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(2-ethylphenyl)methyl]-1-propylpyrrole-2-carboxamide
PubChem CID64694880
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name4-bromo-N-[(2-ethylphenyl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCc1ccccc1CC
InChIInChI=1S/C17H21BrN2O/c1-3-9-20-12-15(18)10-16(20)17(21)19-11-14-8-6-5-7-13(14)4-2/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,19,21)
InChIKeyBMHPYJXOYMPQGO-UHFFFAOYSA-N
XLogP4.15
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(2,5-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 63793142
4-bromo-N-[(1-methylpyrrol-2-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 114186333
N-[[4-(aminomethyl)phenyl]methyl]-4-bromo-1-propylpyrrole-2-carboxamide
CID 81093916
N-[(4-aminophenyl)methyl]-4-bromo-1-propylpyrrole-2-carboxamide
CID 116650037
4-bromo-1-propyl-N-(2-propylphenyl)pyrrole-2-carboxamide
CID 63525463
4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639903
4-bromo-N-[3-(dimethylamino)-3-oxopropyl]-1-propylpyrrole-2-carboxamide
CID 54934711
3-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62675869
4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
CID 43640684
4-bromo-N-[(1S)-1-phenylethyl]-1-propylpyrrole-2-carboxamide
CID 107864120
4-bromo-N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 66175814
4-bromo-1-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2-carboxamide
CID 79351058

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-ethylphenyl)methyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(2-ethylphenyl)methyl]-1-propylpyrrole-2-carboxamide (CID 64694880) is 4-bromo-N-[(2-ethylphenyl)methyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(2-ethylphenyl)methyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(2-ethylphenyl)methyl]-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)NCc1ccccc1CC.
What is the InChIKey of 4-bromo-N-[(2-ethylphenyl)methyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is BMHPYJXOYMPQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-3-9-20-12-15(18)10-16(20)17(21)19-11-14-8-6-5-7-13(14)4-2/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,19,21).
What are the key properties of 4-bromo-N-[(2-ethylphenyl)methyl]-1-propylpyrrole-2-carboxamide?
4-bromo-N-[(2-ethylphenyl)methyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 349.27 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2-ethylphenyl)methyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 64694880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).