4-acetyl-N-[1-(4-bromophenyl)propyl]-1H-pyrrole-2-carboxamide

C16H17BrN2O2 — CID 46415953

IUPAC4-acetyl-N-[1-(4-bromophenyl)propyl]-1H-pyrrole-2-carboxamide
SMILESCCC(NC(=O)c1cc(C(C)=O)c[nH]1)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O2/c1-3-14(11-4-6-13(17)7-5-11)19-16(21)15-8-12(9-18-15)10(2)20/h4-9,14,18H,3H2,1-2H3,(H,19,21)
InChIKeyQHIDBLSKMGFSFR-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.86
Rot. Bonds5

About 4-acetyl-N-[1-(4-bromophenyl)propyl]-1H-pyrrole-2-carboxamide

4-acetyl-N-[1-(4-bromophenyl)propyl]-1H-pyrrole-2-carboxamide (PubChem CID 46415953) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 4-acetyl-N-[1-(4-bromophenyl)propyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[1-(4-bromophenyl)propyl]-1H-pyrrole-2-carboxamide
PubChem CID46415953
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name4-acetyl-N-[1-(4-bromophenyl)propyl]-1H-pyrrole-2-carboxamide
SMILESCCC(NC(=O)c1cc(C(C)=O)c[nH]1)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O2/c1-3-14(11-4-6-13(17)7-5-11)19-16(21)15-8-12(9-18-15)10(2)20/h4-9,14,18H,3H2,1-2H3,(H,19,21)
InChIKeyQHIDBLSKMGFSFR-UHFFFAOYSA-N
XLogP3.86
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide
CID 107980228
4-bromo-N-[1-(4-methoxyphenyl)propyl]-1H-pyrrole-2-carboxamide
CID 51218079
[(2R)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-phenylethyl]-dimethylazanium
CID 8938260
4-acetyl-N-(1-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide
CID 43394554
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311
N-[(1S)-1-(4-bromophenyl)propyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 27164187
(2S,3S)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-3-methylpentanoic acid
CID 61132584
4-acetyl-N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 8533676
4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 93317785
N-[1-(4-bromophenyl)propyl]thiophene-3-carboxamide
CID 43022770
N-[1-(4-bromophenyl)propyl]-4-(dimethylamino)benzamide
CID 43011620
4-acetyl-1H-pyrrole-2-carbohydrazide
CID 2768115

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[1-(4-bromophenyl)propyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[1-(4-bromophenyl)propyl]-1H-pyrrole-2-carboxamide (CID 46415953) is 4-acetyl-N-[1-(4-bromophenyl)propyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[1-(4-bromophenyl)propyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[1-(4-bromophenyl)propyl]-1H-pyrrole-2-carboxamide is CCC(NC(=O)c1cc(C(C)=O)c[nH]1)c1ccc(Br)cc1.
What is the InChIKey of 4-acetyl-N-[1-(4-bromophenyl)propyl]-1H-pyrrole-2-carboxamide?
The InChIKey is QHIDBLSKMGFSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-3-14(11-4-6-13(17)7-5-11)19-16(21)15-8-12(9-18-15)10(2)20/h4-9,14,18H,3H2,1-2H3,(H,19,21).
What are the key properties of 4-acetyl-N-[1-(4-bromophenyl)propyl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-[1-(4-bromophenyl)propyl]-1H-pyrrole-2-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[1-(4-bromophenyl)propyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 46415953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).