2,4-dichloro-N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]benzamide

C14H9Cl2F6N3O2 — CID 3817281

IUPAC2,4-dichloro-N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]benzamide
SMILESCc1cc(NC(NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C(F)(F)F)no1
InChIInChI=1S/C14H9Cl2F6N3O2/c1-6-4-10(25-27-6)23-12(13(17,18)19,14(20,21)22)24-11(26)8-3-2-7(15)5-9(8)16/h2-5H,1H3,(H,23,25)(H,24,26)
InChIKeyMVOHVPRPAOBSRA-UHFFFAOYSA-N
MW436.14 g/mol
LogP4.95
Rot. Bonds4

About 2,4-dichloro-N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]benzamide

2,4-dichloro-N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]benzamide (PubChem CID 3817281) has the molecular formula C14H9Cl2F6N3O2 and a molecular weight of 436.14 g/mol. Its IUPAC name is 2,4-dichloro-N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]benzamide
PubChem CID3817281
Molecular FormulaC14H9Cl2F6N3O2
Molecular Weight436.14 g/mol
Exact Mass435.00
IUPAC Name2,4-dichloro-N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]benzamide
SMILESCc1cc(NC(NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C(F)(F)F)no1
InChIInChI=1S/C14H9Cl2F6N3O2/c1-6-4-10(25-27-6)23-12(13(17,18)19,14(20,21)22)24-11(26)8-3-2-7(15)5-9(8)16/h2-5H,1H3,(H,23,25)(H,24,26)
InChIKeyMVOHVPRPAOBSRA-UHFFFAOYSA-N
XLogP4.95
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.14
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]benzamide (CID 3817281) is 2,4-dichloro-N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]benzamide is Cc1cc(NC(NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C(F)(F)F)no1.
What is the InChIKey of 2,4-dichloro-N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]benzamide?
The InChIKey is MVOHVPRPAOBSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F6N3O2/c1-6-4-10(25-27-6)23-12(13(17,18)19,14(20,21)22)24-11(26)8-3-2-7(15)5-9(8)16/h2-5H,1H3,(H,23,25)(H,24,26).
What are the key properties of 2,4-dichloro-N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]benzamide?
2,4-dichloro-N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]benzamide has a molecular weight of 436.14 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,2-oxazol-3-yl)amino]propan-2-yl]benzamide is sourced from PubChem (CID 3817281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).