N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide

C13H14ClN5O2 — CID 168655984

IUPACN-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CC(CN=[N+]=[N-])CC2=O)cc1Cl
InChIInChI=1S/C13H14ClN5O2/c1-8(20)17-12-3-2-10(5-11(12)14)19-7-9(4-13(19)21)6-16-18-15/h2-3,5,9H,4,6-7H2,1H3,(H,17,20)
InChIKeyGHNKFVPZTDOYGN-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.96
Rot. Bonds4

About N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide

N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide (PubChem CID 168655984) has the molecular formula C13H14ClN5O2 and a molecular weight of 307.74 g/mol. Its IUPAC name is N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide
PubChem CID168655984
Molecular FormulaC13H14ClN5O2
Molecular Weight307.74 g/mol
Exact Mass307.08
IUPAC NameN-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CC(CN=[N+]=[N-])CC2=O)cc1Cl
InChIInChI=1S/C13H14ClN5O2/c1-8(20)17-12-3-2-10(5-11(12)14)19-7-9(4-13(19)21)6-16-18-15/h2-3,5,9H,4,6-7H2,1H3,(H,17,20)
InChIKeyGHNKFVPZTDOYGN-UHFFFAOYSA-N
XLogP2.96
TPSA98.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide
CID 168503717
4-(azidomethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168657747
4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-chloro-N,N-dimethylbenzamide
CID 168656199
N-[3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-chlorophenyl]acetamide
CID 168655979
1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690528
1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696123
N-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-2-methylphenyl]acetamide
CID 168507030
4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 168656715
N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide
CID 168655968
methyl 4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-3-chlorobenzoate
CID 168656288
4-(azidomethyl)-1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168656677
[3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]phenyl]boronic acid
CID 168658361

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide?
The IUPAC name of N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide (CID 168655984) is N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide.
What is the SMILES notation for N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide?
The canonical SMILES for N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide is CC(=O)Nc1ccc(N2CC(CN=[N+]=[N-])CC2=O)cc1Cl.
What is the InChIKey of N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide?
The InChIKey is GHNKFVPZTDOYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O2/c1-8(20)17-12-3-2-10(5-11(12)14)19-7-9(4-13(19)21)6-16-18-15/h2-3,5,9H,4,6-7H2,1H3,(H,17,20).
What are the key properties of N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide?
N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide has a molecular weight of 307.74 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide is sourced from PubChem (CID 168655984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).