4-chloro-N-[2-[[2-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclohexyl]amino]ethyl]benzamide;hydrochloride

C26H33Cl2N3O4 — CID 67743321

IUPAC4-chloro-N-[2-[[2-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclohexyl]amino]ethyl]benzamide;hydrochloride
SMILESCOCC1CN(c2ccc(C3CCCCC3NCCNC(=O)c3ccc(Cl)cc3)cc2)C(=O)O1.Cl
InChIInChI=1S/C26H32ClN3O4.ClH/c1-33-17-22-16-30(26(32)34-22)21-12-8-18(9-13-21)23-4-2-3-5-24(23)28-14-15-29-25(31)19-6-10-20(27)11-7-19;/h6-13,22-24,28H,2-5,14-17H2,1H3,(H,29,31);1H
InChIKeyIQYKETRSYDZRPR-UHFFFAOYSA-N
MW522.47 g/mol
LogP4.78
Rot. Bonds9

About 4-chloro-N-[2-[[2-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclohexyl]amino]ethyl]benzamide;hydrochloride

4-chloro-N-[2-[[2-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclohexyl]amino]ethyl]benzamide;hydrochloride (PubChem CID 67743321) has the molecular formula C26H33Cl2N3O4 and a molecular weight of 522.47 g/mol. Its IUPAC name is 4-chloro-N-[2-[[2-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclohexyl]amino]ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[2-[[2-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclohexyl]amino]ethyl]benzamide;hydrochloride
PubChem CID67743321
Molecular FormulaC26H33Cl2N3O4
Molecular Weight522.47 g/mol
Exact Mass521.18
IUPAC Name4-chloro-N-[2-[[2-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclohexyl]amino]ethyl]benzamide;hydrochloride
SMILESCOCC1CN(c2ccc(C3CCCCC3NCCNC(=O)c3ccc(Cl)cc3)cc2)C(=O)O1.Cl
InChIInChI=1S/C26H32ClN3O4.ClH/c1-33-17-22-16-30(26(32)34-22)21-12-8-18(9-13-21)23-4-2-3-5-24(23)28-14-15-29-25(31)19-6-10-20(27)11-7-19;/h6-13,22-24,28H,2-5,14-17H2,1H3,(H,29,31);1H
InChIKeyIQYKETRSYDZRPR-UHFFFAOYSA-N
XLogP4.78
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.47
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-cyclohexylphenyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 15987062
4-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-1-carboxylate
CID 23371834
ethyl 4-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-1-carboxylate
CID 86749980
[4-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclohexyl] acetate
CID 54456815
[(5S)-3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl N-(4-chlorophenyl)carbamate
CID 28562053
3-[4-[2-(3-chlorophenyl)ethyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 3061370
4-fluoro-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 16920743
(5R)-3-[4-(3-hydroxypropyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10378182
2-[4-[4-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclohexylidene]acetonitrile
CID 54090920
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methoxybenzamide
CID 110328021
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,3-oxazolidin-2-one
CID 629049
(5R)-5-(methoxymethyl)-3-[4-(3-oxobutoxy)phenyl]-1,3-oxazolidin-2-one
CID 18646211

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[[2-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclohexyl]amino]ethyl]benzamide;hydrochloride?
The IUPAC name of 4-chloro-N-[2-[[2-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclohexyl]amino]ethyl]benzamide;hydrochloride (CID 67743321) is 4-chloro-N-[2-[[2-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclohexyl]amino]ethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[2-[[2-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclohexyl]amino]ethyl]benzamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[2-[[2-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclohexyl]amino]ethyl]benzamide;hydrochloride is COCC1CN(c2ccc(C3CCCCC3NCCNC(=O)c3ccc(Cl)cc3)cc2)C(=O)O1.Cl.
What is the InChIKey of 4-chloro-N-[2-[[2-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclohexyl]amino]ethyl]benzamide;hydrochloride?
The InChIKey is IQYKETRSYDZRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN3O4.ClH/c1-33-17-22-16-30(26(32)34-22)21-12-8-18(9-13-21)23-4-2-3-5-24(23)28-14-15-29-25(31)19-6-10-20(27)11-7-19;/h6-13,22-24,28H,2-5,14-17H2,1H3,(H,29,31);1H.
What are the key properties of 4-chloro-N-[2-[[2-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclohexyl]amino]ethyl]benzamide;hydrochloride?
4-chloro-N-[2-[[2-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclohexyl]amino]ethyl]benzamide;hydrochloride has a molecular weight of 522.47 g/mol, XLogP of 4.78, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[[2-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclohexyl]amino]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 67743321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).