N-(2-amino-5-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide

C13H18ClN3O2 — CID 112624444

IUPACN-(2-amino-5-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESNc1ccc(Cl)cc1NC(=O)CN1CCC(CO)C1
InChIInChI=1S/C13H18ClN3O2/c14-10-1-2-11(15)12(5-10)16-13(19)7-17-4-3-9(6-17)8-18/h1-2,5,9,18H,3-4,6-8,15H2,(H,16,19)
InChIKeyARLIWDAMUIBOGL-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.17
Rot. Bonds4

About N-(2-amino-5-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide

N-(2-amino-5-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 112624444) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID112624444
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC NameN-(2-amino-5-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESNc1ccc(Cl)cc1NC(=O)CN1CCC(CO)C1
InChIInChI=1S/C13H18ClN3O2/c14-10-1-2-11(15)12(5-10)16-13(19)7-17-4-3-9(6-17)8-18/h1-2,5,9,18H,3-4,6-8,15H2,(H,16,19)
InChIKeyARLIWDAMUIBOGL-UHFFFAOYSA-N
XLogP1.17
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62371379
N-(2-amino-5-chlorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]acetamide
CID 106586022
N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505319
N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide
CID 16778999
N-(2-amino-5-chlorophenyl)-2-piperidin-1-ylacetamide
CID 16793337
N-(2-amino-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 115964905
4-chloro-3-[[2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]amino]benzoic acid
CID 115965515
N-(2-amino-5-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102932232
N-(2-amino-5-chlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 62206390
N-(5-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115647977
N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 43584981
N-(2-amino-5-chlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43246069

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide (CID 112624444) is N-(2-amino-5-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide is Nc1ccc(Cl)cc1NC(=O)CN1CCC(CO)C1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is ARLIWDAMUIBOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c14-10-1-2-11(15)12(5-10)16-13(19)7-17-4-3-9(6-17)8-18/h1-2,5,9,18H,3-4,6-8,15H2,(H,16,19).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
N-(2-amino-5-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 283.76 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 112624444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).