2,6-dichloro-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide

C14H18Cl2N2O2 — CID 91783951

IUPAC2,6-dichloro-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide
SMILESCCO[C@H]1CN(C)C[C@@H]1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c1-3-20-12-8-18(2)7-11(12)17-14(19)13-9(15)5-4-6-10(13)16/h4-6,11-12H,3,7-8H2,1-2H3,(H,17,19)/t11-,12-/m0/s1
InChIKeyMKNQFULDXRMZPN-RYUDHWBXSA-N
MW317.22 g/mol
LogP2.44
Rot. Bonds4

About 2,6-dichloro-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide

2,6-dichloro-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide (PubChem CID 91783951) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 2,6-dichloro-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide
PubChem CID91783951
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name2,6-dichloro-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide
SMILESCCO[C@H]1CN(C)C[C@@H]1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c1-3-20-12-8-18(2)7-11(12)17-14(19)13-9(15)5-4-6-10(13)16/h4-6,11-12H,3,7-8H2,1-2H3,(H,17,19)/t11-,12-/m0/s1
InChIKeyMKNQFULDXRMZPN-RYUDHWBXSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-4-methylbenzamide
CID 72926011
5-(2-chlorophenyl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]furan-2-carboxamide
CID 70786517
N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]quinoxaline-2-carboxamide
CID 133266039
3-(1,3-dihydroisoindol-2-yl)-N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide
CID 133265917
N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-(2-methoxyphenyl)acetamide
CID 133268518
N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 131926128
2-(4-chloro-3-methylpyrazol-1-yl)-N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]acetamide
CID 133266960
3-(benzenesulfonyl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]propanamide
CID 91766764
N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 91836549
2,6-dichloro-N-(1-propylpiperidin-4-yl)benzamide
CID 17249839
N-(4-ethoxy-1-methylpyrrolidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 156609764
2,6-dichloro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide
CID 43594211

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide (CID 91783951) is 2,6-dichloro-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide is CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide?
The InChIKey is MKNQFULDXRMZPN-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-3-20-12-8-18(2)7-11(12)17-14(19)13-9(15)5-4-6-10(13)16/h4-6,11-12H,3,7-8H2,1-2H3,(H,17,19)/t11-,12-/m0/s1.
What are the key properties of 2,6-dichloro-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide?
2,6-dichloro-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide has a molecular weight of 317.22 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 91783951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).