N,2-bis(4-chlorophenyl)-4-ethyl-1,3-oxazolidine-3-carboxamide

C18H18Cl2N2O2 — CID 110190058

IUPACN,2-bis(4-chlorophenyl)-4-ethyl-1,3-oxazolidine-3-carboxamide
SMILESCCC1COC(c2ccc(Cl)cc2)N1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-2-16-11-24-17(12-3-5-13(19)6-4-12)22(16)18(23)21-15-9-7-14(20)8-10-15/h3-10,16-17H,2,11H2,1H3,(H,21,23)
InChIKeyZFFZBETWAWESRH-UHFFFAOYSA-N
MW365.26 g/mol
LogP5.33
Rot. Bonds3

About N,2-bis(4-chlorophenyl)-4-ethyl-1,3-oxazolidine-3-carboxamide

N,2-bis(4-chlorophenyl)-4-ethyl-1,3-oxazolidine-3-carboxamide (PubChem CID 110190058) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is N,2-bis(4-chlorophenyl)-4-ethyl-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound NameN,2-bis(4-chlorophenyl)-4-ethyl-1,3-oxazolidine-3-carboxamide
PubChem CID110190058
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC NameN,2-bis(4-chlorophenyl)-4-ethyl-1,3-oxazolidine-3-carboxamide
SMILESCCC1COC(c2ccc(Cl)cc2)N1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-2-16-11-24-17(12-3-5-13(19)6-4-12)22(16)18(23)21-15-9-7-14(20)8-10-15/h3-10,16-17H,2,11H2,1H3,(H,21,23)
InChIKeyZFFZBETWAWESRH-UHFFFAOYSA-N
XLogP5.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.26
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide;propane
CID 176941389
N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956
N-(4-chlorophenyl)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxamide
CID 102434601
N-[4-(aminomethyl)phenyl]-5-ethyl-2-methylmorpholine-4-carboxamide
CID 61424962
(3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79411419
N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide
CID 110446851
N-(4-chlorophenyl)-4-propylpiperazin-4-ium-1-carboxamide
CID 9166248
(4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-oxazolidine-4-carboxylic acid
CID 58691300
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-(4-methylphenyl)acetamide
CID 60516267
(1R,5S)-N-(4-ethoxyphenyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 95986000
dimethyl (2R,4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate
CID 1476484
N-(4-aminophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)acetamide
CID 43575099

Frequently Asked Questions

What is the IUPAC name of N,2-bis(4-chlorophenyl)-4-ethyl-1,3-oxazolidine-3-carboxamide?
The IUPAC name of N,2-bis(4-chlorophenyl)-4-ethyl-1,3-oxazolidine-3-carboxamide (CID 110190058) is N,2-bis(4-chlorophenyl)-4-ethyl-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for N,2-bis(4-chlorophenyl)-4-ethyl-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for N,2-bis(4-chlorophenyl)-4-ethyl-1,3-oxazolidine-3-carboxamide is CCC1COC(c2ccc(Cl)cc2)N1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N,2-bis(4-chlorophenyl)-4-ethyl-1,3-oxazolidine-3-carboxamide?
The InChIKey is ZFFZBETWAWESRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-2-16-11-24-17(12-3-5-13(19)6-4-12)22(16)18(23)21-15-9-7-14(20)8-10-15/h3-10,16-17H,2,11H2,1H3,(H,21,23).
What are the key properties of N,2-bis(4-chlorophenyl)-4-ethyl-1,3-oxazolidine-3-carboxamide?
N,2-bis(4-chlorophenyl)-4-ethyl-1,3-oxazolidine-3-carboxamide has a molecular weight of 365.26 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(4-chlorophenyl)-4-ethyl-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 110190058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).