2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide

C14H15FN2O — CID 21234303

IUPAC2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide
SMILESCn1cccc1CCNC(=O)c1ccccc1F
InChIInChI=1S/C14H15FN2O/c1-17-10-4-5-11(17)8-9-16-14(18)12-6-2-3-7-13(12)15/h2-7,10H,8-9H2,1H3,(H,16,18)
InChIKeySSOQDXIZMNUHRK-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.14
Rot. Bonds4

About 2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide

2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide (PubChem CID 21234303) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide
PubChem CID21234303
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide
SMILESCn1cccc1CCNC(=O)c1ccccc1F
InChIInChI=1S/C14H15FN2O/c1-17-10-4-5-11(17)8-9-16-14(18)12-6-2-3-7-13(12)15/h2-7,10H,8-9H2,1H3,(H,16,18)
InChIKeySSOQDXIZMNUHRK-UHFFFAOYSA-N
XLogP2.14
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 103713795
2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide
CID 810032
2-(2-aminoethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 106416688
3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide
CID 103713431
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-fluorobenzamide
CID 113085569
N-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide
CID 39359576
2-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 935612
2-fluoro-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide
CID 84579411
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide
CID 47337929

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide (CID 21234303) is 2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide is Cn1cccc1CCNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide?
The InChIKey is SSOQDXIZMNUHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-17-10-4-5-11(17)8-9-16-14(18)12-6-2-3-7-13(12)15/h2-7,10H,8-9H2,1H3,(H,16,18).
What are the key properties of 2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide?
2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide has a molecular weight of 246.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide is sourced from PubChem (CID 21234303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).