N-(3-chloro-4-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide

C14H19ClN2O2 — CID 110859521

IUPACN-(3-chloro-4-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
SMILESCOc1ccc(NC(=O)CC2CCCN2C)cc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-17-7-3-4-11(17)9-14(18)16-10-5-6-13(19-2)12(15)8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,18)
InChIKeyGNHXFOZVBGBHOH-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.77
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide

N-(3-chloro-4-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide (PubChem CID 110859521) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
PubChem CID110859521
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
SMILESCOc1ccc(NC(=O)CC2CCCN2C)cc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-17-7-3-4-11(17)9-14(18)16-10-5-6-13(19-2)12(15)8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,18)
InChIKeyGNHXFOZVBGBHOH-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110859529
3-chloro-4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83960396
N-(3,4-dimethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110857374
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 42065157
N-(3-chloro-4-methoxyphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26562158
N-(2-methoxy-5-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110860294
N-(3-chloro-4-methoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942046
N-(3-chloro-4-methoxyphenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119675615
N-(3-chloro-4-methoxyphenyl)-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 46615040
N'-(3-chloro-4-methoxyphenyl)-N-cycloheptylpropanediamide
CID 108951592
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103698755
N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide
CID 108942612

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide (CID 110859521) is N-(3-chloro-4-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide is COc1ccc(NC(=O)CC2CCCN2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide?
The InChIKey is GNHXFOZVBGBHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-17-7-3-4-11(17)9-14(18)16-10-5-6-13(19-2)12(15)8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,18).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide has a molecular weight of 282.77 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide is sourced from PubChem (CID 110859521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).