[(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone

C17H17ClN2O — CID 175436371

IUPAC[(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone
SMILESN[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C17H17ClN2O/c18-15-7-5-13(6-8-15)12-1-3-14(4-2-12)17(21)20-10-9-16(19)11-20/h1-8,16H,9-11,19H2/t16-/m0/s1
InChIKeyWISIJPZLNMDACA-INIZCTEOSA-N
MW300.79 g/mol
LogP3.18
Rot. Bonds2

About [(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone

[(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone (PubChem CID 175436371) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is [(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone.

Molecular Properties

Compound Name[(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone
PubChem CID175436371
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name[(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone
SMILESN[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C17H17ClN2O/c18-15-7-5-13(6-8-15)12-1-3-14(4-2-12)17(21)20-10-9-16(19)11-20/h1-8,16H,9-11,19H2/t16-/m0/s1
InChIKeyWISIJPZLNMDACA-INIZCTEOSA-N
XLogP3.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone
CID 119410324
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(4-chlorophenyl)methanone
CID 80552612
(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 62067516
[4-(4-chlorophenyl)phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 126426652
(3-aminopyrrolidin-1-yl)-(3,4-dichlorophenyl)methanone
CID 59657843
[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
CID 119413093
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 119412532
[(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 129415328
(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362
1-(3-aminopyrrolidin-1-yl)-3-[4-(4-chlorophenyl)phenyl]-3,3-difluoropropan-1-one
CID 142387276
(3-aminopyrrolidin-1-yl)-(4-fluoro-3-sulfanylphenyl)methanone
CID 107027839

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone?
The IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone (CID 175436371) is [(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone.
What is the SMILES notation for [(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone?
The canonical SMILES for [(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone is N[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C1.
What is the InChIKey of [(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone?
The InChIKey is WISIJPZLNMDACA-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-15-7-5-13(6-8-15)12-1-3-14(4-2-12)17(21)20-10-9-16(19)11-20/h1-8,16H,9-11,19H2/t16-/m0/s1.
What are the key properties of [(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone?
[(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone has a molecular weight of 300.79 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone is sourced from PubChem (CID 175436371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).