(2-chloro-5-phenylphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone

C19H21ClN2O — CID 124613032

IUPAC(2-chloro-5-phenylphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNC[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)ccc2Cl)C1
InChIInChI=1S/C19H21ClN2O/c1-21-12-14-9-10-22(13-14)19(23)17-11-16(7-8-18(17)20)15-5-3-2-4-6-15/h2-8,11,14,21H,9-10,12-13H2,1H3/t14-/m0/s1
InChIKeyOUEUOMIYXLGFBR-AWEZNQCLSA-N
MW328.84 g/mol
LogP3.69
Rot. Bonds4

About (2-chloro-5-phenylphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone

(2-chloro-5-phenylphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 124613032) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is (2-chloro-5-phenylphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-5-phenylphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID124613032
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name(2-chloro-5-phenylphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNC[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)ccc2Cl)C1
InChIInChI=1S/C19H21ClN2O/c1-21-12-14-9-10-22(13-14)19(23)17-11-16(7-8-18(17)20)15-5-3-2-4-6-15/h2-8,11,14,21H,9-10,12-13H2,1H3/t14-/m0/s1
InChIKeyOUEUOMIYXLGFBR-AWEZNQCLSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119542048
[4-(4-chlorophenyl)-2-fluorophenyl]-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124613242
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone
CID 119542238
(2,4-dichloro-5-fluorophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538592
1-(2-chloro-5-phenylbenzoyl)piperidine-4-carboxylic acid
CID 119349827
1-[4-chloro-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 119542484
(1,3-diphenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119538902
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
(4-chloro-2-methoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263315
N-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide
CID 119540740
[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 124612845
(2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204735

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-phenylphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-chloro-5-phenylphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 124613032) is (2-chloro-5-phenylphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-5-phenylphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-chloro-5-phenylphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone is CNC[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)ccc2Cl)C1.
What is the InChIKey of (2-chloro-5-phenylphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is OUEUOMIYXLGFBR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-21-12-14-9-10-22(13-14)19(23)17-11-16(7-8-18(17)20)15-5-3-2-4-6-15/h2-8,11,14,21H,9-10,12-13H2,1H3/t14-/m0/s1.
What are the key properties of (2-chloro-5-phenylphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
(2-chloro-5-phenylphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 328.84 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-phenylphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124613032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).