1-(3-anilinopyrrolidin-1-yl)-3-(4-chlorophenoxy)propan-1-one

C19H21ClN2O2 — CID 56533520

IUPAC1-(3-anilinopyrrolidin-1-yl)-3-(4-chlorophenoxy)propan-1-one
SMILESO=C(CCOc1ccc(Cl)cc1)N1CCC(Nc2ccccc2)C1
InChIInChI=1S/C19H21ClN2O2/c20-15-6-8-18(9-7-15)24-13-11-19(23)22-12-10-17(14-22)21-16-4-2-1-3-5-16/h1-9,17,21H,10-14H2
InChIKeyRVIMJAGVAKFQRW-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.82
Rot. Bonds6

About 1-(3-anilinopyrrolidin-1-yl)-3-(4-chlorophenoxy)propan-1-one

1-(3-anilinopyrrolidin-1-yl)-3-(4-chlorophenoxy)propan-1-one (PubChem CID 56533520) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-(3-anilinopyrrolidin-1-yl)-3-(4-chlorophenoxy)propan-1-one.

Molecular Properties

Compound Name1-(3-anilinopyrrolidin-1-yl)-3-(4-chlorophenoxy)propan-1-one
PubChem CID56533520
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name1-(3-anilinopyrrolidin-1-yl)-3-(4-chlorophenoxy)propan-1-one
SMILESO=C(CCOc1ccc(Cl)cc1)N1CCC(Nc2ccccc2)C1
InChIInChI=1S/C19H21ClN2O2/c20-15-6-8-18(9-7-15)24-13-11-19(23)22-12-10-17(14-22)21-16-4-2-1-3-5-16/h1-9,17,21H,10-14H2
InChIKeyRVIMJAGVAKFQRW-UHFFFAOYSA-N
XLogP3.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-anilinopyrrolidin-1-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 56581095
1-(3-anilinopyrrolidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 56504074
1-(3-anilinopyrrolidin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 56503572
1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 119167136
(3R)-1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 129382420
N-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55853684
1-(4-aminopiperidin-1-yl)-3-(4-chlorophenoxy)propan-1-one;hydrochloride
CID 119373511
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 66291437
2,5-dichloro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108554611
1-[4-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 108547297
2-(4-chlorophenoxy)-1-[(3S)-3-(methylamino)pyrrolidin-1-yl]ethanone
CID 130320248
1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110358802

Frequently Asked Questions

What is the IUPAC name of 1-(3-anilinopyrrolidin-1-yl)-3-(4-chlorophenoxy)propan-1-one?
The IUPAC name of 1-(3-anilinopyrrolidin-1-yl)-3-(4-chlorophenoxy)propan-1-one (CID 56533520) is 1-(3-anilinopyrrolidin-1-yl)-3-(4-chlorophenoxy)propan-1-one.
What is the SMILES notation for 1-(3-anilinopyrrolidin-1-yl)-3-(4-chlorophenoxy)propan-1-one?
The canonical SMILES for 1-(3-anilinopyrrolidin-1-yl)-3-(4-chlorophenoxy)propan-1-one is O=C(CCOc1ccc(Cl)cc1)N1CCC(Nc2ccccc2)C1.
What is the InChIKey of 1-(3-anilinopyrrolidin-1-yl)-3-(4-chlorophenoxy)propan-1-one?
The InChIKey is RVIMJAGVAKFQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-15-6-8-18(9-7-15)24-13-11-19(23)22-12-10-17(14-22)21-16-4-2-1-3-5-16/h1-9,17,21H,10-14H2.
What are the key properties of 1-(3-anilinopyrrolidin-1-yl)-3-(4-chlorophenoxy)propan-1-one?
1-(3-anilinopyrrolidin-1-yl)-3-(4-chlorophenoxy)propan-1-one has a molecular weight of 344.84 g/mol, XLogP of 3.82, 6 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)-3-(4-chlorophenoxy)propan-1-one is sourced from PubChem (CID 56533520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).