(5-chloro-2-methoxyphenyl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone

C14H19ClN2O3 — CID 91783571

IUPAC(5-chloro-2-methoxyphenyl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1
InChIInChI=1S/C14H19ClN2O3/c1-16(2)11-7-17(8-12(11)18)14(19)10-6-9(15)4-5-13(10)20-3/h4-6,11-12,18H,7-8H2,1-3H3/t11-,12-/m0/s1
InChIKeyDASSDARQYRGLIQ-RYUDHWBXSA-N
MW298.77 g/mol
LogP1.10
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone

(5-chloro-2-methoxyphenyl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone (PubChem CID 91783571) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone
PubChem CID91783571
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name(5-chloro-2-methoxyphenyl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1
InChIInChI=1S/C14H19ClN2O3/c1-16(2)11-7-17(8-12(11)18)14(19)10-6-9(15)4-5-13(10)20-3/h4-6,11-12,18H,7-8H2,1-3H3/t11-,12-/m0/s1
InChIKeyDASSDARQYRGLIQ-RYUDHWBXSA-N
XLogP1.10
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-chloro-2-methoxyphenyl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(3-aminoazetidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 65244224
(5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone
CID 70713898
(5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 2904490
(4-chloro-2-methoxyphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671460
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-chloro-2-methoxyphenyl)methanone;hydrochloride
CID 120658746
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
(3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride
CID 119380845
[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 33000048
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
4-[1-(5-chloro-2-methoxybenzoyl)azetidin-3-yl]oxypyridine-2-carboxamide
CID 154831310
methyl 4-(5-chloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 110803250
1-(5-chloro-2-methoxybenzoyl)-N-cyclopropyl-N-methylpiperidine-4-carboxamide
CID 55627034

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone (CID 91783571) is (5-chloro-2-methoxyphenyl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone is COc1ccc(Cl)cc1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is DASSDARQYRGLIQ-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-16(2)11-7-17(8-12(11)18)14(19)10-6-9(15)4-5-13(10)20-3/h4-6,11-12,18H,7-8H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of (5-chloro-2-methoxyphenyl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone?
(5-chloro-2-methoxyphenyl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 298.77 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 91783571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).