3,5-dichloro-4-methyl-N-(3-methyl-2-oxopentan-3-yl)benzamide

C14H17Cl2NO2 — CID 11087961

IUPAC3,5-dichloro-4-methyl-N-(3-methyl-2-oxopentan-3-yl)benzamide
SMILESCCC(C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)C(C)=O
InChIInChI=1S/C14H17Cl2NO2/c1-5-14(4,9(3)18)17-13(19)10-6-11(15)8(2)12(16)7-10/h6-7H,5H2,1-4H3,(H,17,19)
InChIKeyUKKKGCZFKPKTPL-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.79
Rot. Bonds4

About 3,5-dichloro-4-methyl-N-(3-methyl-2-oxopentan-3-yl)benzamide

3,5-dichloro-4-methyl-N-(3-methyl-2-oxopentan-3-yl)benzamide (PubChem CID 11087961) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 3,5-dichloro-4-methyl-N-(3-methyl-2-oxopentan-3-yl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-methyl-N-(3-methyl-2-oxopentan-3-yl)benzamide
PubChem CID11087961
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name3,5-dichloro-4-methyl-N-(3-methyl-2-oxopentan-3-yl)benzamide
SMILESCCC(C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)C(C)=O
InChIInChI=1S/C14H17Cl2NO2/c1-5-14(4,9(3)18)17-13(19)10-6-11(15)8(2)12(16)7-10/h6-7H,5H2,1-4H3,(H,17,19)
InChIKeyUKKKGCZFKPKTPL-UHFFFAOYSA-N
XLogP3.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methyl-N-(3-methyl-2-oxopentan-3-yl)benzamide?
The IUPAC name of 3,5-dichloro-4-methyl-N-(3-methyl-2-oxopentan-3-yl)benzamide (CID 11087961) is 3,5-dichloro-4-methyl-N-(3-methyl-2-oxopentan-3-yl)benzamide.
What is the SMILES notation for 3,5-dichloro-4-methyl-N-(3-methyl-2-oxopentan-3-yl)benzamide?
The canonical SMILES for 3,5-dichloro-4-methyl-N-(3-methyl-2-oxopentan-3-yl)benzamide is CCC(C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)C(C)=O.
What is the InChIKey of 3,5-dichloro-4-methyl-N-(3-methyl-2-oxopentan-3-yl)benzamide?
The InChIKey is UKKKGCZFKPKTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-5-14(4,9(3)18)17-13(19)10-6-11(15)8(2)12(16)7-10/h6-7H,5H2,1-4H3,(H,17,19).
What are the key properties of 3,5-dichloro-4-methyl-N-(3-methyl-2-oxopentan-3-yl)benzamide?
3,5-dichloro-4-methyl-N-(3-methyl-2-oxopentan-3-yl)benzamide has a molecular weight of 302.20 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methyl-N-(3-methyl-2-oxopentan-3-yl)benzamide is sourced from PubChem (CID 11087961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).