N-[2-(2-fluorobenzoyl)pyrrol-1-yl]-2-(methylamino)acetamide

C14H14FN3O2 — CID 23367307

IUPACN-[2-(2-fluorobenzoyl)pyrrol-1-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nn1cccc1C(=O)c1ccccc1F
InChIInChI=1S/C14H14FN3O2/c1-16-9-13(19)17-18-8-4-7-12(18)14(20)10-5-2-3-6-11(10)15/h2-8,16H,9H2,1H3,(H,17,19)
InChIKeyMVLZAFFFEQDIPT-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.15
Rot. Bonds5

About N-[2-(2-fluorobenzoyl)pyrrol-1-yl]-2-(methylamino)acetamide

N-[2-(2-fluorobenzoyl)pyrrol-1-yl]-2-(methylamino)acetamide (PubChem CID 23367307) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-[2-(2-fluorobenzoyl)pyrrol-1-yl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorobenzoyl)pyrrol-1-yl]-2-(methylamino)acetamide
PubChem CID23367307
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC NameN-[2-(2-fluorobenzoyl)pyrrol-1-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nn1cccc1C(=O)c1ccccc1F
InChIInChI=1S/C14H14FN3O2/c1-16-9-13(19)17-18-8-4-7-12(18)14(20)10-5-2-3-6-11(10)15/h2-8,16H,9H2,1H3,(H,17,19)
InChIKeyMVLZAFFFEQDIPT-UHFFFAOYSA-N
XLogP1.15
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide
CID 119742065
[2-(2-chlorobenzoyl)pyrrol-1-yl]carbamic acid
CID 23321778
2-amino-N-[2-chloro-5-(2-fluorobenzoyl)pyrrol-1-yl]acetamide;hydrobromide
CID 70341615
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
5-(2-fluorobenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 84728759
2-fluoro-N-methylbenzamide;hydrate
CID 141303255
1-(2-fluorophenyl)butane-1,3-dione
CID 15169784
N-(2,5-dimethylpyrrol-1-yl)-2-fluorobenzamide
CID 43822402
(4-fluoro-2,6-dimethylphenyl)-(2-fluorophenyl)methanone
CID 106876756
methyl 1-(2-fluorobenzoyl)pyrrole-2-carboxylate
CID 171483297
(2-fluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 116564738
(2-ethylphenyl)-(2-fluorophenyl)methanone
CID 83393999

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorobenzoyl)pyrrol-1-yl]-2-(methylamino)acetamide?
The IUPAC name of N-[2-(2-fluorobenzoyl)pyrrol-1-yl]-2-(methylamino)acetamide (CID 23367307) is N-[2-(2-fluorobenzoyl)pyrrol-1-yl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[2-(2-fluorobenzoyl)pyrrol-1-yl]-2-(methylamino)acetamide?
The canonical SMILES for N-[2-(2-fluorobenzoyl)pyrrol-1-yl]-2-(methylamino)acetamide is CNCC(=O)Nn1cccc1C(=O)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorobenzoyl)pyrrol-1-yl]-2-(methylamino)acetamide?
The InChIKey is MVLZAFFFEQDIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-16-9-13(19)17-18-8-4-7-12(18)14(20)10-5-2-3-6-11(10)15/h2-8,16H,9H2,1H3,(H,17,19).
What are the key properties of N-[2-(2-fluorobenzoyl)pyrrol-1-yl]-2-(methylamino)acetamide?
N-[2-(2-fluorobenzoyl)pyrrol-1-yl]-2-(methylamino)acetamide has a molecular weight of 275.28 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorobenzoyl)pyrrol-1-yl]-2-(methylamino)acetamide is sourced from PubChem (CID 23367307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).