N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

C13H18ClN3O2 — CID 61407752

IUPACN-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESNc1ccc(NC(=O)CN2CCCC2CO)c(Cl)c1
InChIInChI=1S/C13H18ClN3O2/c14-11-6-9(15)3-4-12(11)16-13(19)7-17-5-1-2-10(17)8-18/h3-4,6,10,18H,1-2,5,7-8,15H2,(H,16,19)
InChIKeyWPTBREZBEANMRB-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.32
Rot. Bonds4

About N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 61407752) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID61407752
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC NameN-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESNc1ccc(NC(=O)CN2CCCC2CO)c(Cl)c1
InChIInChI=1S/C13H18ClN3O2/c14-11-6-9(15)3-4-12(11)16-13(19)7-17-5-1-2-10(17)8-18/h3-4,6,10,18H,1-2,5,7-8,15H2,(H,16,19)
InChIKeyWPTBREZBEANMRB-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
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-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide
CID 54882152
N-(4-amino-2-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406852
N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637305
N-(4-amino-2-methoxyphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406482
N-(5-amino-2-methylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406897
N-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 61407514
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide
CID 81493975
N-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942370
N-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637787
N-(4-amino-2-methylphenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide
CID 54882930
N-(5-chloro-2-methylphenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62734054
N-(4-amino-2-methylphenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62467867

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (CID 61407752) is N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is Nc1ccc(NC(=O)CN2CCCC2CO)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is WPTBREZBEANMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c14-11-6-9(15)3-4-12(11)16-13(19)7-17-5-1-2-10(17)8-18/h3-4,6,10,18H,1-2,5,7-8,15H2,(H,16,19).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 283.76 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 61407752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).