1-(3-aminopyrrolidin-1-yl)-3-[4-(4-chlorophenyl)phenyl]-3,3-difluoropropan-1-one

C19H19ClF2N2O — CID 142387276

IUPAC1-(3-aminopyrrolidin-1-yl)-3-[4-(4-chlorophenyl)phenyl]-3,3-difluoropropan-1-one
SMILESNC1CCN(C(=O)CC(F)(F)c2ccc(-c3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C19H19ClF2N2O/c20-16-7-3-14(4-8-16)13-1-5-15(6-2-13)19(21,22)11-18(25)24-10-9-17(23)12-24/h1-8,17H,9-12,23H2
InChIKeyCYTGGKINJWSZDZ-UHFFFAOYSA-N
MW364.82 g/mol
LogP4.05
Rot. Bonds4

About 1-(3-aminopyrrolidin-1-yl)-3-[4-(4-chlorophenyl)phenyl]-3,3-difluoropropan-1-one

1-(3-aminopyrrolidin-1-yl)-3-[4-(4-chlorophenyl)phenyl]-3,3-difluoropropan-1-one (PubChem CID 142387276) has the molecular formula C19H19ClF2N2O and a molecular weight of 364.82 g/mol. Its IUPAC name is 1-(3-aminopyrrolidin-1-yl)-3-[4-(4-chlorophenyl)phenyl]-3,3-difluoropropan-1-one.

Molecular Properties

Compound Name1-(3-aminopyrrolidin-1-yl)-3-[4-(4-chlorophenyl)phenyl]-3,3-difluoropropan-1-one
PubChem CID142387276
Molecular FormulaC19H19ClF2N2O
Molecular Weight364.82 g/mol
Exact Mass364.12
IUPAC Name1-(3-aminopyrrolidin-1-yl)-3-[4-(4-chlorophenyl)phenyl]-3,3-difluoropropan-1-one
SMILESNC1CCN(C(=O)CC(F)(F)c2ccc(-c3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C19H19ClF2N2O/c20-16-7-3-14(4-8-16)13-1-5-15(6-2-13)19(21,22)11-18(25)24-10-9-17(23)12-24/h1-8,17H,9-12,23H2
InChIKeyCYTGGKINJWSZDZ-UHFFFAOYSA-N
XLogP4.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.82
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone
CID 175436371
1-(3-aminopyrrolidin-1-yl)-2-(4-chlorophenyl)ethanone;hydrochloride
CID 119483085
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 119934564
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride
CID 119934376
N-[4-[(3R)-3-aminopyrrolidin-1-yl]-4-oxobutyl]-4-chlorobenzamide;hydrochloride
CID 119411425
1-(4-aminopiperidin-1-yl)-3-(4-butoxyphenyl)-3,3-difluoropropan-1-one
CID 142387595
[(3R)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119409702
(E)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one
CID 81468865
1-[(3R)-3-aminopyrrolidin-1-yl]-4-(4-phenylphenyl)butane-1,4-dione
CID 119411621
1-[(3R)-3-aminopyrrolidin-1-yl]-4,4,4-trifluoro-3-phenylbutan-1-one
CID 119411236
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(3,5-dichlorophenyl)ethanone;hydrochloride
CID 176516407

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopyrrolidin-1-yl)-3-[4-(4-chlorophenyl)phenyl]-3,3-difluoropropan-1-one?
The IUPAC name of 1-(3-aminopyrrolidin-1-yl)-3-[4-(4-chlorophenyl)phenyl]-3,3-difluoropropan-1-one (CID 142387276) is 1-(3-aminopyrrolidin-1-yl)-3-[4-(4-chlorophenyl)phenyl]-3,3-difluoropropan-1-one.
What is the SMILES notation for 1-(3-aminopyrrolidin-1-yl)-3-[4-(4-chlorophenyl)phenyl]-3,3-difluoropropan-1-one?
The canonical SMILES for 1-(3-aminopyrrolidin-1-yl)-3-[4-(4-chlorophenyl)phenyl]-3,3-difluoropropan-1-one is NC1CCN(C(=O)CC(F)(F)c2ccc(-c3ccc(Cl)cc3)cc2)C1.
What is the InChIKey of 1-(3-aminopyrrolidin-1-yl)-3-[4-(4-chlorophenyl)phenyl]-3,3-difluoropropan-1-one?
The InChIKey is CYTGGKINJWSZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N2O/c20-16-7-3-14(4-8-16)13-1-5-15(6-2-13)19(21,22)11-18(25)24-10-9-17(23)12-24/h1-8,17H,9-12,23H2.
What are the key properties of 1-(3-aminopyrrolidin-1-yl)-3-[4-(4-chlorophenyl)phenyl]-3,3-difluoropropan-1-one?
1-(3-aminopyrrolidin-1-yl)-3-[4-(4-chlorophenyl)phenyl]-3,3-difluoropropan-1-one has a molecular weight of 364.82 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopyrrolidin-1-yl)-3-[4-(4-chlorophenyl)phenyl]-3,3-difluoropropan-1-one is sourced from PubChem (CID 142387276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).