3,4-dichloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzamide

C13H14Cl2N2O3 — CID 110719239

IUPAC3,4-dichloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzamide
SMILESO=C(NCCCN1CCOC1=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2O3/c14-10-3-2-9(8-11(10)15)12(18)16-4-1-5-17-6-7-20-13(17)19/h2-3,8H,1,4-7H2,(H,16,18)
InChIKeyMEQRZIUOGLVAPC-UHFFFAOYSA-N
MW317.17 g/mol
LogP2.57
Rot. Bonds5

About 3,4-dichloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzamide

3,4-dichloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzamide (PubChem CID 110719239) has the molecular formula C13H14Cl2N2O3 and a molecular weight of 317.17 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzamide
PubChem CID110719239
Molecular FormulaC13H14Cl2N2O3
Molecular Weight317.17 g/mol
Exact Mass316.04
IUPAC Name3,4-dichloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzamide
SMILESO=C(NCCCN1CCOC1=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2O3/c14-10-3-2-9(8-11(10)15)12(18)16-4-1-5-17-6-7-20-13(17)19/h2-3,8H,1,4-7H2,(H,16,18)
InChIKeyMEQRZIUOGLVAPC-UHFFFAOYSA-N
XLogP2.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzamide
CID 110719243
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
3,4-dichloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802534
3-chloro-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
CID 110707208
3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
2,3-dimethyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]quinoxaline-6-carboxamide
CID 72852469
2-chloro-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
CID 110707207
5-bromo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]furan-2-carboxamide
CID 110743138
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
3,4-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzamide
CID 42273536
3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 103734648

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzamide (CID 110719239) is 3,4-dichloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzamide is O=C(NCCCN1CCOC1=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzamide?
The InChIKey is MEQRZIUOGLVAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3/c14-10-3-2-9(8-11(10)15)12(18)16-4-1-5-17-6-7-20-13(17)19/h2-3,8H,1,4-7H2,(H,16,18).
What are the key properties of 3,4-dichloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzamide?
3,4-dichloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzamide has a molecular weight of 317.17 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzamide is sourced from PubChem (CID 110719239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).