3-chloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2-methoxybenzamide

C15H21ClN2O3 — CID 13493822

IUPAC3-chloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2-methoxybenzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1c(O)ccc(Cl)c1OC
InChIInChI=1S/C15H21ClN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(19)7-6-11(16)14(13)21-2/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
InChIKeyIBUGWYFNHKGWRI-JTQLQIEISA-N
MW312.80 g/mol
LogP2.27
Rot. Bonds5

About 3-chloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2-methoxybenzamide

3-chloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2-methoxybenzamide (PubChem CID 13493822) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-chloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2-methoxybenzamide
PubChem CID13493822
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name3-chloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2-methoxybenzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1c(O)ccc(Cl)c1OC
InChIInChI=1S/C15H21ClN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(19)7-6-11(16)14(13)21-2/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
InChIKeyIBUGWYFNHKGWRI-JTQLQIEISA-N
XLogP2.27
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2-methoxybenzamide?
The IUPAC name of 3-chloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2-methoxybenzamide (CID 13493822) is 3-chloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2-methoxybenzamide?
The canonical SMILES for 3-chloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2-methoxybenzamide is CCN1CCC[C@H]1CNC(=O)c1c(O)ccc(Cl)c1OC.
What is the InChIKey of 3-chloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2-methoxybenzamide?
The InChIKey is IBUGWYFNHKGWRI-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(19)7-6-11(16)14(13)21-2/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1.
What are the key properties of 3-chloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2-methoxybenzamide?
3-chloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2-methoxybenzamide has a molecular weight of 312.80 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2-methoxybenzamide is sourced from PubChem (CID 13493822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).