N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-3-fluorobenzamide

C15H17FN2O — CID 110716408

IUPACN-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-3-fluorobenzamide
SMILESCc1ccc(C)n1CCNC(=O)c1cccc(F)c1
InChIInChI=1S/C15H17FN2O/c1-11-6-7-12(2)18(11)9-8-17-15(19)13-4-3-5-14(16)10-13/h3-7,10H,8-9H2,1-2H3,(H,17,19)
InChIKeyNUVWLSRXMAWRBG-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.67
Rot. Bonds4

About N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-3-fluorobenzamide

N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-3-fluorobenzamide (PubChem CID 110716408) 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]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-3-fluorobenzamide
PubChem CID110716408
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC NameN-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-3-fluorobenzamide
SMILESCc1ccc(C)n1CCNC(=O)c1cccc(F)c1
InChIInChI=1S/C15H17FN2O/c1-11-6-7-12(2)18(11)9-8-17-15(19)13-4-3-5-14(16)10-13/h3-7,10H,8-9H2,1-2H3,(H,17,19)
InChIKeyNUVWLSRXMAWRBG-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]-4-fluorobenzamide
CID 110716409
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405
3-fluoro-N-octadecylbenzamide
CID 91711883
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-fluorobenzamide
CID 110396411
3-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 47790572
N-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540166
3-fluoro-N-[2-(2-hydroxyethylamino)ethyl]benzamide
CID 175851417
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide
CID 110397771
3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 110867653
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-3-fluorobenzamide (CID 110716408) is N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-3-fluorobenzamide is Cc1ccc(C)n1CCNC(=O)c1cccc(F)c1.
What is the InChIKey of N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-3-fluorobenzamide?
The InChIKey is NUVWLSRXMAWRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11-6-7-12(2)18(11)9-8-17-15(19)13-4-3-5-14(16)10-13/h3-7,10H,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-3-fluorobenzamide?
N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-3-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]-3-fluorobenzamide is sourced from PubChem (CID 110716408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).