1-(3-anilinopyrrolidin-1-yl)-2-(3,4-dichlorophenoxy)propan-1-one

C19H20Cl2N2O2 — CID 56503956

IUPAC1-(3-anilinopyrrolidin-1-yl)-2-(3,4-dichlorophenoxy)propan-1-one
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC(Nc2ccccc2)C1
InChIInChI=1S/C19H20Cl2N2O2/c1-13(25-16-7-8-17(20)18(21)11-16)19(24)23-10-9-15(12-23)22-14-5-3-2-4-6-14/h2-8,11,13,15,22H,9-10,12H2,1H3
InChIKeyYKBVVGSGVFLPAD-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.47
Rot. Bonds5

About 1-(3-anilinopyrrolidin-1-yl)-2-(3,4-dichlorophenoxy)propan-1-one

1-(3-anilinopyrrolidin-1-yl)-2-(3,4-dichlorophenoxy)propan-1-one (PubChem CID 56503956) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 1-(3-anilinopyrrolidin-1-yl)-2-(3,4-dichlorophenoxy)propan-1-one.

Molecular Properties

Compound Name1-(3-anilinopyrrolidin-1-yl)-2-(3,4-dichlorophenoxy)propan-1-one
PubChem CID56503956
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name1-(3-anilinopyrrolidin-1-yl)-2-(3,4-dichlorophenoxy)propan-1-one
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC(Nc2ccccc2)C1
InChIInChI=1S/C19H20Cl2N2O2/c1-13(25-16-7-8-17(20)18(21)11-16)19(24)23-10-9-15(12-23)22-14-5-3-2-4-6-14/h2-8,11,13,15,22H,9-10,12H2,1H3
InChIKeyYKBVVGSGVFLPAD-UHFFFAOYSA-N
XLogP4.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3,4-dichlorophenoxy)propan-1-one
CID 119635706
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3,4-dichlorophenoxy)propan-1-one
CID 55792554
1-[2-(3,4-dichlorophenoxy)propanoyl]-N-ethylpiperidine-3-carboxamide
CID 49050190
2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112787311
N-[1-[2-(3,4-dichlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 55850395
1-(3-anilinopyrrolidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 56504074
2-(3,4-dichlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one
CID 56570508
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,4-dichlorophenoxy)propan-1-one;hydrochloride
CID 120818509
N-(2-aminoethyl)-1-[2-(3,4-dichlorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479851
3-anilino-N-[(4-methoxyphenyl)-phenylmethyl]pyrrolidine-1-carboxamide
CID 86903980
1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one;hydrochloride
CID 119563868
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 66262018

Frequently Asked Questions

What is the IUPAC name of 1-(3-anilinopyrrolidin-1-yl)-2-(3,4-dichlorophenoxy)propan-1-one?
The IUPAC name of 1-(3-anilinopyrrolidin-1-yl)-2-(3,4-dichlorophenoxy)propan-1-one (CID 56503956) is 1-(3-anilinopyrrolidin-1-yl)-2-(3,4-dichlorophenoxy)propan-1-one.
What is the SMILES notation for 1-(3-anilinopyrrolidin-1-yl)-2-(3,4-dichlorophenoxy)propan-1-one?
The canonical SMILES for 1-(3-anilinopyrrolidin-1-yl)-2-(3,4-dichlorophenoxy)propan-1-one is CC(Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC(Nc2ccccc2)C1.
What is the InChIKey of 1-(3-anilinopyrrolidin-1-yl)-2-(3,4-dichlorophenoxy)propan-1-one?
The InChIKey is YKBVVGSGVFLPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-13(25-16-7-8-17(20)18(21)11-16)19(24)23-10-9-15(12-23)22-14-5-3-2-4-6-14/h2-8,11,13,15,22H,9-10,12H2,1H3.
What are the key properties of 1-(3-anilinopyrrolidin-1-yl)-2-(3,4-dichlorophenoxy)propan-1-one?
1-(3-anilinopyrrolidin-1-yl)-2-(3,4-dichlorophenoxy)propan-1-one has a molecular weight of 379.29 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-anilinopyrrolidin-1-yl)-2-(3,4-dichlorophenoxy)propan-1-one is sourced from PubChem (CID 56503956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).