N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide

C15H18FN3O — CID 79099131

IUPACN-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
SMILESCNC(C)c1ccn(CC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C15H18FN3O/c1-11(17-2)12-6-7-19(9-12)10-15(20)18-14-5-3-4-13(16)8-14/h3-9,11,17H,10H2,1-2H3,(H,18,20)
InChIKeyQFHJVGYAFNPQPG-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.55
Rot. Bonds5

About N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide

N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide (PubChem CID 79099131) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
PubChem CID79099131
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
SMILESCNC(C)c1ccn(CC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C15H18FN3O/c1-11(17-2)12-6-7-19(9-12)10-15(20)18-14-5-3-4-13(16)8-14/h3-9,11,17H,10H2,1-2H3,(H,18,20)
InChIKeyQFHJVGYAFNPQPG-UHFFFAOYSA-N
XLogP2.55
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide
CID 79107758
N-(4-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79099508
2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-(3-fluorophenyl)acetamide
CID 26579576
N-(3-methylphenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide
CID 79108596
N-(3-fluorophenyl)-2-(1-phenylethylamino)acetamide
CID 43179330
2-[3-(1-aminobutyl)pyrrol-1-yl]-N-(3-chlorophenyl)acetamide
CID 79108893
N-(3-fluorophenyl)-2-[2-[1-(methylamino)ethyl]piperidin-1-yl]acetamide
CID 63855022
2-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]-N-(3-methylphenyl)acetamide
CID 79099731
N-(3-fluorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 27855792
N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]acetamide
CID 63853756
3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507646
2-[[2-(3-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838270

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide (CID 79099131) is N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide is CNC(C)c1ccn(CC(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide?
The InChIKey is QFHJVGYAFNPQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-11(17-2)12-6-7-19(9-12)10-15(20)18-14-5-3-4-13(16)8-14/h3-9,11,17H,10H2,1-2H3,(H,18,20).
What are the key properties of N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide?
N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide has a molecular weight of 275.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 79099131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).