2,6-dichloro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide

C12H14Cl2N2O2 — CID 43594211

IUPAC2,6-dichloro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide
SMILESCO[C@H]1CNCC1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-18-10-6-15-5-9(10)16-12(17)11-7(13)3-2-4-8(11)14/h2-4,9-10,15H,5-6H2,1H3,(H,16,17)/t9?,10-/m0/s1
InChIKeyDPTVNAZXJKNLEX-AXDSSHIGSA-N
MW289.16 g/mol
LogP1.71
Rot. Bonds3

About 2,6-dichloro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide

2,6-dichloro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide (PubChem CID 43594211) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 2,6-dichloro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide
PubChem CID43594211
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name2,6-dichloro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide
SMILESCO[C@H]1CNCC1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-18-10-6-15-5-9(10)16-12(17)11-7(13)3-2-4-8(11)14/h2-4,9-10,15H,5-6H2,1H3,(H,16,17)/t9?,10-/m0/s1
InChIKeyDPTVNAZXJKNLEX-AXDSSHIGSA-N
XLogP1.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbenzamide
CID 113304909
5-chloro-N-(4-methoxypyrrolidin-3-yl)furan-2-carboxamide
CID 74883276
2-(3-chlorophenyl)-N-(4-methoxypyrrolidin-3-yl)acetamide;hydrochloride
CID 136561181
N-[(4S)-4-methoxypyrrolidin-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106893256
2-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbenzamide
CID 113357096
2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide
CID 43594205
(2R)-2-(2,6-difluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]propanamide
CID 99852420
N-[(4S)-4-methoxypyrrolidin-3-yl]prop-2-ynamide
CID 43594076
N-[(4S)-4-methoxypyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 62881760
2-(5-chlorothiophen-2-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide
CID 86780824
6-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide
CID 115354184
2-chloro-6-[[(4S)-4-methoxypyrrolidin-3-yl]amino]benzonitrile
CID 62497668

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide (CID 43594211) is 2,6-dichloro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide is CO[C@H]1CNCC1NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide?
The InChIKey is DPTVNAZXJKNLEX-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-18-10-6-15-5-9(10)16-12(17)11-7(13)3-2-4-8(11)14/h2-4,9-10,15H,5-6H2,1H3,(H,16,17)/t9?,10-/m0/s1.
What are the key properties of 2,6-dichloro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide?
2,6-dichloro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide has a molecular weight of 289.16 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide is sourced from PubChem (CID 43594211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).