N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-fluorobenzamide

C15H17FN2O — CID 110716409

IUPACN-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-fluorobenzamide
SMILESCc1ccc(C)n1CCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O/c1-11-3-4-12(2)18(11)10-9-17-15(19)13-5-7-14(16)8-6-13/h3-8H,9-10H2,1-2H3,(H,17,19)
InChIKeySEYGMTORKSKDBA-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.67
Rot. Bonds4

About N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-fluorobenzamide

N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-fluorobenzamide (PubChem CID 110716409) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-fluorobenzamide
PubChem CID110716409
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC NameN-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-fluorobenzamide
SMILESCc1ccc(C)n1CCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O/c1-11-3-4-12(2)18(11)10-9-17-15(19)13-5-7-14(16)8-6-13/h3-8H,9-10H2,1-2H3,(H,17,19)
InChIKeySEYGMTORKSKDBA-UHFFFAOYSA-N
XLogP2.67
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-3-fluorobenzamide
CID 110716408
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4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
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N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide
CID 900701
N-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide
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N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538277
4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide
CID 29200089
3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110688951
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide
CID 119299559
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CID 60577670

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-fluorobenzamide (CID 110716409) is N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-fluorobenzamide is Cc1ccc(C)n1CCNC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-fluorobenzamide?
The InChIKey is SEYGMTORKSKDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11-3-4-12(2)18(11)10-9-17-15(19)13-5-7-14(16)8-6-13/h3-8H,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-fluorobenzamide?
N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-fluorobenzamide has a molecular weight of 260.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 110716409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).