(4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride

C12H16Cl2N2O — CID 119781055

IUPAC(4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCC1CCCN1C(=O)c1ccc(N)cc1Cl.Cl
InChIInChI=1S/C12H15ClN2O.ClH/c1-8-3-2-6-15(8)12(16)10-5-4-9(14)7-11(10)13;/h4-5,7-8H,2-3,6,14H2,1H3;1H
InChIKeyIZEQZOYGZZQOQY-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.97
Rot. Bonds1

About (4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride

(4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 119781055) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID119781055
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name(4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCC1CCCN1C(=O)c1ccc(N)cc1Cl.Cl
InChIInChI=1S/C12H15ClN2O.ClH/c1-8-3-2-6-15(8)12(16)10-5-4-9(14)7-11(10)13;/h4-5,7-8H,2-3,6,14H2,1H3;1H
InChIKeyIZEQZOYGZZQOQY-UHFFFAOYSA-N
XLogP2.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 119671331
1-(4-amino-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61114622
(5-amino-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 60974941
(4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 43541599
(4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793408
5-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-methylbenzamide
CID 120621032
(4-amino-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride
CID 119729193
(4-chloro-2-hydroxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 60975104
1-(4-amino-2-chlorobenzoyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194185
(4-amino-2-chlorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 61109638
N-[[1-(4-amino-2-chlorobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722447
(5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 61146717

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of (4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride (CID 119781055) is (4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride is CC1CCCN1C(=O)c1ccc(N)cc1Cl.Cl.
What is the InChIKey of (4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is IZEQZOYGZZQOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O.ClH/c1-8-3-2-6-15(8)12(16)10-5-4-9(14)7-11(10)13;/h4-5,7-8H,2-3,6,14H2,1H3;1H.
What are the key properties of (4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride?
(4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 275.18 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119781055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).