3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide

C15H20Cl2N2O2 — CID 15167696

IUPAC3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C15H20Cl2N2O2/c1-3-19-6-4-5-11(19)9-18-15(20)12-7-10(16)8-13(17)14(12)21-2/h7-8,11H,3-6,9H2,1-2H3,(H,18,20)/t11-/m0/s1
InChIKeyNFNSQRMKWTYCTF-NSHDSACASA-N
MW331.24 g/mol
LogP3.22
Rot. Bonds5

About 3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide

3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide (PubChem CID 15167696) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
PubChem CID15167696
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C15H20Cl2N2O2/c1-3-19-6-4-5-11(19)9-18-15(20)12-7-10(16)8-13(17)14(12)21-2/h7-8,11H,3-6,9H2,1-2H3,(H,18,20)/t11-/m0/s1
InChIKeyNFNSQRMKWTYCTF-NSHDSACASA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1H-indole-2-carboxamide;hydrochloride
CID 3019360
5-chloro-3-ethyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide
CID 6093347
3,4-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydroxy-2-methoxybenzamide
CID 142641654
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529
5-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide;hydrobromide
CID 46781582
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxybenzamide
CID 52947113
5-butanoyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide
CID 175104597
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;dihydrochloride
CID 17213687
3,5-dichloro-N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide
CID 11440307
4-chloro-1-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]naphthalene-2-carboxamide
CID 18983069
5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dihydroxy-6-methoxybenzamide
CID 10022203
2-amino-3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethoxybenzamide
CID 14076876

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide (CID 15167696) is 3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide is CCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc(Cl)c1OC.
What is the InChIKey of 3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide?
The InChIKey is NFNSQRMKWTYCTF-NSHDSACASA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-3-19-6-4-5-11(19)9-18-15(20)12-7-10(16)8-13(17)14(12)21-2/h7-8,11H,3-6,9H2,1-2H3,(H,18,20)/t11-/m0/s1.
What are the key properties of 3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide?
3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide has a molecular weight of 331.24 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 15167696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).