2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide

C16H15Cl2NO — CID 4547297

IUPAC2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H15Cl2NO/c1-10(2)11-6-3-4-9-14(11)19-16(20)15-12(17)7-5-8-13(15)18/h3-10H,1-2H3,(H,19,20)
InChIKeyDQRJOWAPJZHMTD-UHFFFAOYSA-N
MW308.21 g/mol
LogP5.37
Rot. Bonds3

About 2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide

2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 4547297) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide
PubChem CID4547297
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H15Cl2NO/c1-10(2)11-6-3-4-9-14(11)19-16(20)15-12(17)7-5-8-13(15)18/h3-10H,1-2H3,(H,19,20)
InChIKeyDQRJOWAPJZHMTD-UHFFFAOYSA-N
XLogP5.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.21
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-(2-propan-2-ylphenyl)-6-trimethylsilylbenzamide
CID 18630035
N'-(2,6-dichlorophenyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500627
3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 681881
2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide
CID 966223
2-fluoro-6-hydroxy-N-(2-propan-2-ylphenyl)benzamide
CID 104916685
2-(2-chloroanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267813
N-(2-propan-2-ylphenyl)benzamide
CID 723391
2-(3-chloro-2-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267816
3,6-dichloro-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 26290782
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
4-bromo-3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 81308068
2-iodo-N-(2-propan-2-ylphenyl)benzamide
CID 615900

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide (CID 4547297) is 2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide is CC(C)c1ccccc1NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is DQRJOWAPJZHMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-10(2)11-6-3-4-9-14(11)19-16(20)15-12(17)7-5-8-13(15)18/h3-10H,1-2H3,(H,19,20).
What are the key properties of 2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide?
2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 308.21 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 4547297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).