N-(3-chloro-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide

C14H19ClN2O3 — CID 62371221

IUPACN-(3-chloro-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCC(CO)C2)cc1Cl
InChIInChI=1S/C14H19ClN2O3/c1-20-13-3-2-11(6-12(13)15)16-14(19)8-17-5-4-10(7-17)9-18/h2-3,6,10,18H,4-5,7-9H2,1H3,(H,16,19)
InChIKeyIADWYSGEJARPMD-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.60
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 62371221) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID62371221
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCC(CO)C2)cc1Cl
InChIInChI=1S/C14H19ClN2O3/c1-20-13-3-2-11(6-12(13)15)16-14(19)8-17-5-4-10(7-17)9-18/h2-3,6,10,18H,4-5,7-9H2,1H3,(H,16,19)
InChIKeyIADWYSGEJARPMD-UHFFFAOYSA-N
XLogP1.60
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963334
N-(3-chloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111442952
N-(3-chloro-4-methoxyphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923559
2-(4-benzylpiperidin-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 16554623
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride
CID 120728314
N-(3-chloro-4-cyanophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62372959
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 62372251
N-(3-chloro-4-methoxyphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 125013799
N-(3-chloro-4-methoxyphenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 80702831
2-(4-aminopiperidin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 79322239
N-(3-chloro-4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642472
N-(3-chloro-4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60966755

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide (CID 62371221) is N-(3-chloro-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide is COc1ccc(NC(=O)CN2CCC(CO)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is IADWYSGEJARPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-20-13-3-2-11(6-12(13)15)16-14(19)8-17-5-4-10(7-17)9-18/h2-3,6,10,18H,4-5,7-9H2,1H3,(H,16,19).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 298.77 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 62371221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).