(2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride

C12H15Cl3N2O — CID 119413676

IUPAC(2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2cc(Cl)ccc2Cl)C1.Cl
InChIInChI=1S/C12H14Cl2N2O.ClH/c1-15-9-4-5-16(7-9)12(17)10-6-8(13)2-3-11(10)14;/h2-3,6,9,15H,4-5,7H2,1H3;1H
InChIKeyLTLDURPDHKUIHM-UHFFFAOYSA-N
MW309.62 g/mol
LogP2.85
Rot. Bonds2

About (2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride

(2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 119413676) has the molecular formula C12H15Cl3N2O and a molecular weight of 309.62 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID119413676
Molecular FormulaC12H15Cl3N2O
Molecular Weight309.62 g/mol
Exact Mass308.02
IUPAC Name(2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2cc(Cl)ccc2Cl)C1.Cl
InChIInChI=1S/C12H14Cl2N2O.ClH/c1-15-9-4-5-16(7-9)12(17)10-6-8(13)2-3-11(10)14;/h2-3,6,9,15H,4-5,7H2,1H3;1H
InChIKeyLTLDURPDHKUIHM-UHFFFAOYSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.62
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413636
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide
CID 108558507
(5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535972
(4-chloro-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 112701154
(4-chloro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493215
4-chloro-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide
CID 108550166
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 81487303
[5-chloro-2-(difluoromethoxy)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488965
[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 55030511
(2-chloro-5-methylsulfanylphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119562535
(2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65419188
(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032488

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of (2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride (CID 119413676) is (2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride is CNC1CCN(C(=O)c2cc(Cl)ccc2Cl)C1.Cl.
What is the InChIKey of (2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is LTLDURPDHKUIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O.ClH/c1-15-9-4-5-16(7-9)12(17)10-6-8(13)2-3-11(10)14;/h2-3,6,9,15H,4-5,7H2,1H3;1H.
What are the key properties of (2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride?
(2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 309.62 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119413676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).