N-(3-bromophenyl)-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetamide

C16H17BrN2O2 — CID 79090031

IUPACN-(3-bromophenyl)-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(O)C2CC2)c1)Nc1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O2/c17-13-2-1-3-14(8-13)18-15(20)10-19-7-6-12(9-19)16(21)11-4-5-11/h1-3,6-9,11,16,21H,4-5,10H2,(H,18,20)
InChIKeyJUNQTTHMAFUQPE-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.33
Rot. Bonds5

About N-(3-bromophenyl)-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetamide

N-(3-bromophenyl)-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetamide (PubChem CID 79090031) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetamide
PubChem CID79090031
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-(3-bromophenyl)-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(O)C2CC2)c1)Nc1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O2/c17-13-2-1-3-14(8-13)18-15(20)10-19-7-6-12(9-19)16(21)11-4-5-11/h1-3,6-9,11,16,21H,4-5,10H2,(H,18,20)
InChIKeyJUNQTTHMAFUQPE-UHFFFAOYSA-N
XLogP3.33
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]-N-(3-methylphenyl)acetamide
CID 79099731
2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide
CID 79099095
2-[3-(1-hydroxybutyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide
CID 79109983
N-(3-bromophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide
CID 116625442
2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide
CID 79107992
N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79099131
2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639
1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8530969
N-(3-methylphenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide
CID 79108596
N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681799
1-[2-(3-bromoanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 43565364
N-cyclopropyl-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-ethylacetamide
CID 79104153

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetamide (CID 79090031) is N-(3-bromophenyl)-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetamide is O=C(Cn1ccc(C(O)C2CC2)c1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetamide?
The InChIKey is JUNQTTHMAFUQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c17-13-2-1-3-14(8-13)18-15(20)10-19-7-6-12(9-19)16(21)11-4-5-11/h1-3,6-9,11,16,21H,4-5,10H2,(H,18,20).
What are the key properties of N-(3-bromophenyl)-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetamide?
N-(3-bromophenyl)-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetamide has a molecular weight of 349.23 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 79090031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).