3-chloroaniline;N-[[3-(3-chloro-4-pyridin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C23H22Cl2N4O3 — CID 157419569

IUPAC3-chloroaniline;N-[[3-(3-chloro-4-pyridin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3cccnc3)c(Cl)c2)C(=O)O1.Nc1cccc(Cl)c1
InChIInChI=1S/C17H16ClN3O3.C6H6ClN/c1-11(22)20-9-14-10-21(17(23)24-14)13-4-5-15(16(18)7-13)12-3-2-6-19-8-12;7-5-2-1-3-6(8)4-5/h2-8,14H,9-10H2,1H3,(H,20,22);1-4H,8H2
InChIKeyBPGBNMTZCFKXPM-UHFFFAOYSA-N
MW473.36 g/mol
LogP4.79
Rot. Bonds4

About 3-chloroaniline;N-[[3-(3-chloro-4-pyridin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

3-chloroaniline;N-[[3-(3-chloro-4-pyridin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 157419569) has the molecular formula C23H22Cl2N4O3 and a molecular weight of 473.36 g/mol. Its IUPAC name is 3-chloroaniline;N-[[3-(3-chloro-4-pyridin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name3-chloroaniline;N-[[3-(3-chloro-4-pyridin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID157419569
Molecular FormulaC23H22Cl2N4O3
Molecular Weight473.36 g/mol
Exact Mass472.11
IUPAC Name3-chloroaniline;N-[[3-(3-chloro-4-pyridin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3cccnc3)c(Cl)c2)C(=O)O1.Nc1cccc(Cl)c1
InChIInChI=1S/C17H16ClN3O3.C6H6ClN/c1-11(22)20-9-14-10-21(17(23)24-14)13-4-5-15(16(18)7-13)12-3-2-6-19-8-12;7-5-2-1-3-6(8)4-5/h2-8,14H,9-10H2,1H3,(H,20,22);1-4H,8H2
InChIKeyBPGBNMTZCFKXPM-UHFFFAOYSA-N
XLogP4.79
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.36
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(3-chloro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 19418145
N-[[(5S)-2-oxo-3-(4-pyridin-3-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987829
N-[[(5S)-3-[4-(1-cyanocyclopropyl)-3-pyridin-3-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20616612
3-methoxyaniline;N-[[3-(3-methoxy-4-phenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 161221524
N-[[(5S)-3-[3-fluoro-4-(4-pyridin-3-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 122205194
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[3-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142987396
ethyl 2-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoacetate
CID 16921016
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[(5S)-2-oxo-3-quinolin-6-yl-1,3-oxazolidin-5-yl]methyl]acetamide;hydrochloride
CID 67664955
N-[[(5S)-3-[4-[4-[[(2-amino-1-hydroxy-2-pyridin-3-ylethyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 126489314
N-[[(5S)-3-(4-amino-3-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54229929

Frequently Asked Questions

What is the IUPAC name of 3-chloroaniline;N-[[3-(3-chloro-4-pyridin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of 3-chloroaniline;N-[[3-(3-chloro-4-pyridin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 157419569) is 3-chloroaniline;N-[[3-(3-chloro-4-pyridin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for 3-chloroaniline;N-[[3-(3-chloro-4-pyridin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for 3-chloroaniline;N-[[3-(3-chloro-4-pyridin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-c3cccnc3)c(Cl)c2)C(=O)O1.Nc1cccc(Cl)c1.
What is the InChIKey of 3-chloroaniline;N-[[3-(3-chloro-4-pyridin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is BPGBNMTZCFKXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3.C6H6ClN/c1-11(22)20-9-14-10-21(17(23)24-14)13-4-5-15(16(18)7-13)12-3-2-6-19-8-12;7-5-2-1-3-6(8)4-5/h2-8,14H,9-10H2,1H3,(H,20,22);1-4H,8H2.
What are the key properties of 3-chloroaniline;N-[[3-(3-chloro-4-pyridin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
3-chloroaniline;N-[[3-(3-chloro-4-pyridin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 473.36 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroaniline;N-[[3-(3-chloro-4-pyridin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 157419569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).