2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide

C16H15Cl2NO — CID 966223

IUPAC2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl2NO/c1-10(2)12-5-3-4-6-15(12)19-16(20)13-9-11(17)7-8-14(13)18/h3-10H,1-2H3,(H,19,20)
InChIKeyBJTZNMFQSPHFIF-UHFFFAOYSA-N
MW308.21 g/mol
LogP5.37
Rot. Bonds3

About 2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide

2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 966223) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide
PubChem CID966223
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl2NO/c1-10(2)12-5-3-4-6-15(12)19-16(20)13-9-11(17)7-8-14(13)18/h3-10H,1-2H3,(H,19,20)
InChIKeyBJTZNMFQSPHFIF-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

2,4-dichloro-N-[2-(1-hydroxyethyl)phenyl]benzamide
CID 43508509
3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 681881
5-chloro-N-[2-(1-chloroethyl)phenyl]-2-hydroxybenzamide
CID 114304723
N-[2-(1-bromoethyl)phenyl]-5-chloro-2-fluorobenzamide
CID 114315417
N-(2-acetylphenyl)-2,5-dichlorobenzamide
CID 26067712
2,5-dichloro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 61497828
2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide
CID 4547297
2-(2,5-dichlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 7870586
2,5-dichloro-N-[2-(dimethylamino)phenyl]benzamide
CID 30886701
2-iodo-N-(2-propan-2-ylphenyl)benzamide
CID 615900
N-[2-(1-bromoethyl)phenyl]-4-chloro-2-hydroxybenzamide
CID 114315522
2,5-dichloro-N-naphthalen-1-ylbenzamide
CID 2166526

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide (CID 966223) is 2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide is CC(C)c1ccccc1NC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is BJTZNMFQSPHFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-10(2)12-5-3-4-6-15(12)19-16(20)13-9-11(17)7-8-14(13)18/h3-10H,1-2H3,(H,19,20).
What are the key properties of 2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide?
2,5-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 2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 966223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).