N-[3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-chlorophenyl]acetamide

C13H14ClN5O2 — CID 168655979

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

About N-[3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-chlorophenyl]acetamide

N-[3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-chlorophenyl]acetamide (PubChem CID 168655979) has the molecular formula C13H14ClN5O2 and a molecular weight of 307.74 g/mol. Its IUPAC name is N-[3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-chlorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-chlorophenyl]acetamide
PubChem CID168655979
Molecular FormulaC13H14ClN5O2
Molecular Weight307.74 g/mol
Exact Mass307.08
IUPAC NameN-[3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)c(N2CC(CN=[N+]=[N-])CC2=O)c1
InChIInChI=1S/C13H14ClN5O2/c1-8(20)17-10-2-3-11(14)12(5-10)19-7-9(4-13(19)21)6-16-18-15/h2-3,5,9H,4,6-7H2,1H3,(H,17,20)
InChIKeyHVDPVSKKDMNVIB-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'}

Analyze N-[3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-chlorophenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-chloro-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
CID 168507032
N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide
CID 168655984
N-[4-chloro-3-(4-hydroxy-2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 168701911
N-[4-chloro-3-(4-ethenyl-2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 168684027
methyl 4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-3-chlorobenzoate
CID 168656288
4-(azidomethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168657747
1-(5-acetyl-2-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662051
(3R)-N-(4-acetamidophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004647
4-(azidomethyl)-1-(2-bromo-3-chlorophenyl)pyrrolidin-2-one
CID 168658393
4-(azidomethyl)-1-(3,5-dichloro-2-fluorophenyl)pyrrolidin-2-one
CID 168658269
methyl 4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-3-methylbenzoate
CID 168656653
methyl 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-5-fluorobenzoate
CID 168656279

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-chlorophenyl]acetamide?
The IUPAC name of N-[3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-chlorophenyl]acetamide (CID 168655979) is N-[3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-chlorophenyl]acetamide.
What is the SMILES notation for N-[3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-chlorophenyl]acetamide?
The canonical SMILES for N-[3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-chlorophenyl]acetamide is CC(=O)Nc1ccc(Cl)c(N2CC(CN=[N+]=[N-])CC2=O)c1.
What is the InChIKey of N-[3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-chlorophenyl]acetamide?
The InChIKey is HVDPVSKKDMNVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O2/c1-8(20)17-10-2-3-11(14)12(5-10)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-[3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-chlorophenyl]acetamide?
N-[3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-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-[3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-chlorophenyl]acetamide is sourced from PubChem (CID 168655979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).