(4-amino-2-chlorophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride

C14H20Cl2N2O — CID 119821044

IUPAC(4-amino-2-chlorophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCC(C)C1CCN(C(=O)c2ccc(N)cc2Cl)C1.Cl
InChIInChI=1S/C14H19ClN2O.ClH/c1-9(2)10-5-6-17(8-10)14(18)12-4-3-11(16)7-13(12)15;/h3-4,7,9-10H,5-6,8,16H2,1-2H3;1H
InChIKeyWPKFZPKTZBRZQJ-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.46
Rot. Bonds2

About (4-amino-2-chlorophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride

(4-amino-2-chlorophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 119821044) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID119821044
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name(4-amino-2-chlorophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCC(C)C1CCN(C(=O)c2ccc(N)cc2Cl)C1.Cl
InChIInChI=1S/C14H19ClN2O.ClH/c1-9(2)10-5-6-17(8-10)14(18)12-4-3-11(16)7-13(12)15;/h3-4,7,9-10H,5-6,8,16H2,1-2H3;1H
InChIKeyWPKFZPKTZBRZQJ-UHFFFAOYSA-N
XLogP3.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.46
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-ethylpyrrolidin-1-yl)methanone
CID 113267297
(4-amino-2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916789
(4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 119671331
(4-amino-2-chlorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63167985
(2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504947
(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110476221
(4-amino-2-chlorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168035
(4-amino-2-chlorophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372653
1-(4-amino-2-chlorobenzoyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119697609
(4-bromo-2-chlorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627491
(5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504921
(4-amino-2-chlorophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 119771955

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chlorophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of (4-amino-2-chlorophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride (CID 119821044) is (4-amino-2-chlorophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (4-amino-2-chlorophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (4-amino-2-chlorophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride is CC(C)C1CCN(C(=O)c2ccc(N)cc2Cl)C1.Cl.
What is the InChIKey of (4-amino-2-chlorophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is WPKFZPKTZBRZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O.ClH/c1-9(2)10-5-6-17(8-10)14(18)12-4-3-11(16)7-13(12)15;/h3-4,7,9-10H,5-6,8,16H2,1-2H3;1H.
What are the key properties of (4-amino-2-chlorophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride?
(4-amino-2-chlorophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 303.23 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-chlorophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119821044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).