[1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-(4-fluorophenyl)methanone;hydrochloride

C15H18ClFN2O — CID 138398043

IUPAC[1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-(4-fluorophenyl)methanone;hydrochloride
SMILESCN(C)CCn1cccc1C(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C15H17FN2O.ClH/c1-17(2)10-11-18-9-3-4-14(18)15(19)12-5-7-13(16)8-6-12;/h3-9H,10-11H2,1-2H3;1H
InChIKeyKDMJXOIPHXOXOV-UHFFFAOYSA-N
MW296.77 g/mol
LogP2.84
Rot. Bonds5

About [1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-(4-fluorophenyl)methanone;hydrochloride

[1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-(4-fluorophenyl)methanone;hydrochloride (PubChem CID 138398043) has the molecular formula C15H18ClFN2O and a molecular weight of 296.77 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-(4-fluorophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-(4-fluorophenyl)methanone;hydrochloride
PubChem CID138398043
Molecular FormulaC15H18ClFN2O
Molecular Weight296.77 g/mol
Exact Mass296.11
IUPAC Name[1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-(4-fluorophenyl)methanone;hydrochloride
SMILESCN(C)CCn1cccc1C(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C15H17FN2O.ClH/c1-17(2)10-11-18-9-3-4-14(18)15(19)12-5-7-13(16)8-6-12;/h3-9H,10-11H2,1-2H3;1H
InChIKeyKDMJXOIPHXOXOV-UHFFFAOYSA-N
XLogP2.84
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.77
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-(1-prop-2-ynylpyrrol-2-yl)methanone
CID 155907347
[1-(2-chloroethyl)pyrrol-2-yl]-(4-methoxyphenyl)methanone
CID 19914076
(1-ethylpyrrol-2-yl)-phenylmethanone
CID 23048985
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-fluorophenyl)methanone
CID 114638833
ethyl 1-[3-(dimethylamino)propyl]pyrrole-2-carboxylate
CID 105422127
[4-[7-(dimethylamino)heptyl]phenyl]-(4-fluorophenyl)methanone
CID 19883676
(4-chlorophenyl)-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanone;hydrochloride
CID 138397986
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
1-[2-(dimethylamino)ethyl]-4-(4-fluorobenzoyl)-5-phenylpyrrolidine-2,3-dione
CID 4056654
[1-[(2-hydroxyphenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone
CID 71083233
2-[2-(4-propan-2-ylbenzoyl)pyrrol-1-yl]acetic acid
CID 53212678
2-[2-(3-fluorobenzoyl)pyrrol-1-yl]acetic acid
CID 53212675

Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-(4-fluorophenyl)methanone;hydrochloride?
The IUPAC name of [1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-(4-fluorophenyl)methanone;hydrochloride (CID 138398043) is [1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-(4-fluorophenyl)methanone;hydrochloride.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-(4-fluorophenyl)methanone;hydrochloride?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-(4-fluorophenyl)methanone;hydrochloride is CN(C)CCn1cccc1C(=O)c1ccc(F)cc1.Cl.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-(4-fluorophenyl)methanone;hydrochloride?
The InChIKey is KDMJXOIPHXOXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O.ClH/c1-17(2)10-11-18-9-3-4-14(18)15(19)12-5-7-13(16)8-6-12;/h3-9H,10-11H2,1-2H3;1H.
What are the key properties of [1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-(4-fluorophenyl)methanone;hydrochloride?
[1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-(4-fluorophenyl)methanone;hydrochloride has a molecular weight of 296.77 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-(4-fluorophenyl)methanone;hydrochloride is sourced from PubChem (CID 138398043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).