2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-N-[2-(diethylamino)ethyl]benzamide

C24H28Cl2N4O2 — CID 153051187

IUPAC2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccccc1Nc1c(Cl)cc(-c2c(C)noc2C)cc1Cl
InChIInChI=1S/C24H28Cl2N4O2/c1-5-30(6-2)12-11-27-24(31)18-9-7-8-10-21(18)28-23-19(25)13-17(14-20(23)26)22-15(3)29-32-16(22)4/h7-10,13-14,28H,5-6,11-12H2,1-4H3,(H,27,31)
InChIKeyVHOVQYFYWZJICR-UHFFFAOYSA-N
MW475.42 g/mol
LogP6.08
Rot. Bonds9

About 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-N-[2-(diethylamino)ethyl]benzamide

2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-N-[2-(diethylamino)ethyl]benzamide (PubChem CID 153051187) has the molecular formula C24H28Cl2N4O2 and a molecular weight of 475.42 g/mol. Its IUPAC name is 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-N-[2-(diethylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-N-[2-(diethylamino)ethyl]benzamide
PubChem CID153051187
Molecular FormulaC24H28Cl2N4O2
Molecular Weight475.42 g/mol
Exact Mass474.16
IUPAC Name2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccccc1Nc1c(Cl)cc(-c2c(C)noc2C)cc1Cl
InChIInChI=1S/C24H28Cl2N4O2/c1-5-30(6-2)12-11-27-24(31)18-9-7-8-10-21(18)28-23-19(25)13-17(14-20(23)26)22-15(3)29-32-16(22)4/h7-10,13-14,28H,5-6,11-12H2,1-4H3,(H,27,31)
InChIKeyVHOVQYFYWZJICR-UHFFFAOYSA-N
XLogP6.08
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.42
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-N-[2-(diethylamino)ethyl]benzamide?
The IUPAC name of 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-N-[2-(diethylamino)ethyl]benzamide (CID 153051187) is 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-N-[2-(diethylamino)ethyl]benzamide.
What is the SMILES notation for 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-N-[2-(diethylamino)ethyl]benzamide?
The canonical SMILES for 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-N-[2-(diethylamino)ethyl]benzamide is CCN(CC)CCNC(=O)c1ccccc1Nc1c(Cl)cc(-c2c(C)noc2C)cc1Cl.
What is the InChIKey of 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-N-[2-(diethylamino)ethyl]benzamide?
The InChIKey is VHOVQYFYWZJICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N4O2/c1-5-30(6-2)12-11-27-24(31)18-9-7-8-10-21(18)28-23-19(25)13-17(14-20(23)26)22-15(3)29-32-16(22)4/h7-10,13-14,28H,5-6,11-12H2,1-4H3,(H,27,31).
What are the key properties of 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-N-[2-(diethylamino)ethyl]benzamide?
2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-N-[2-(diethylamino)ethyl]benzamide has a molecular weight of 475.42 g/mol, XLogP of 6.08, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-N-[2-(diethylamino)ethyl]benzamide is sourced from PubChem (CID 153051187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).