N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide

C13H17ClN2O2 — CID 47108337

IUPACN-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(Cl)ccc1N1CCCC1
InChIInChI=1S/C13H17ClN2O2/c1-18-9-13(17)15-11-8-10(14)4-5-12(11)16-6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,15,17)
InChIKeyYTTALNUUZWNNKF-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.53
Rot. Bonds4

About N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide

N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide (PubChem CID 47108337) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide
PubChem CID47108337
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(Cl)ccc1N1CCCC1
InChIInChI=1S/C13H17ClN2O2/c1-18-9-13(17)15-11-8-10(14)4-5-12(11)16-6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,15,17)
InChIKeyYTTALNUUZWNNKF-UHFFFAOYSA-N
XLogP2.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2452642
N-(5-chloro-2-piperidin-1-ylphenyl)-2-phenylmethoxyacetamide
CID 55360085
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-(4-propanoylphenoxy)acetamide
CID 7551811
N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxyacetamide
CID 47296916
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide
CID 7406867
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-(4-cyanophenoxy)acetamide
CID 2526017
N-(5-chloro-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 26292366
4-amino-N-(5-chloro-2-piperidin-1-ylphenyl)butanamide
CID 119829370
N-(5-chloro-2-piperidin-1-ylphenyl)-2-(2-phenylphenoxy)acetamide
CID 7922570
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 1094305
2-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-piperidin-1-ylphenyl)acetamide
CID 38705177
N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-chloro-2-pyrrolidin-1-ylanilino)acetamide
CID 41397519

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide?
The IUPAC name of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide (CID 47108337) is N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide.
What is the SMILES notation for N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide?
The canonical SMILES for N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide is COCC(=O)Nc1cc(Cl)ccc1N1CCCC1.
What is the InChIKey of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide?
The InChIKey is YTTALNUUZWNNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-18-9-13(17)15-11-8-10(14)4-5-12(11)16-6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,15,17).
What are the key properties of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide?
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide has a molecular weight of 268.74 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide is sourced from PubChem (CID 47108337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).