2,4-dichloro-N-[3-(2-methylpropoxy)phenyl]benzamide

C17H17Cl2NO2 — CID 17079524

IUPAC2,4-dichloro-N-[3-(2-methylpropoxy)phenyl]benzamide
SMILESCC(C)COc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H17Cl2NO2/c1-11(2)10-22-14-5-3-4-13(9-14)20-17(21)15-7-6-12(18)8-16(15)19/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyQGKZQYIVEYAUMN-UHFFFAOYSA-N
MW338.23 g/mol
LogP5.28
Rot. Bonds5

About 2,4-dichloro-N-[3-(2-methylpropoxy)phenyl]benzamide

2,4-dichloro-N-[3-(2-methylpropoxy)phenyl]benzamide (PubChem CID 17079524) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-(2-methylpropoxy)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-(2-methylpropoxy)phenyl]benzamide
PubChem CID17079524
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name2,4-dichloro-N-[3-(2-methylpropoxy)phenyl]benzamide
SMILESCC(C)COc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H17Cl2NO2/c1-11(2)10-22-14-5-3-4-13(9-14)20-17(21)15-7-6-12(18)8-16(15)19/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyQGKZQYIVEYAUMN-UHFFFAOYSA-N
XLogP5.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.23
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154669
2,4-dichloro-N-[4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]benzamide
CID 2263896
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079614
2,4-dichloro-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17169954
2,4-dichloro-N-[1-(3-methoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 43001585
4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide
CID 47311708
2,4-dichloro-N'-[2-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4945586
2-(3-chloro-4-fluoroanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54819041
3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079530
4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079565

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-(2-methylpropoxy)phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-(2-methylpropoxy)phenyl]benzamide (CID 17079524) is 2,4-dichloro-N-[3-(2-methylpropoxy)phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-(2-methylpropoxy)phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-(2-methylpropoxy)phenyl]benzamide is CC(C)COc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[3-(2-methylpropoxy)phenyl]benzamide?
The InChIKey is QGKZQYIVEYAUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-11(2)10-22-14-5-3-4-13(9-14)20-17(21)15-7-6-12(18)8-16(15)19/h3-9,11H,10H2,1-2H3,(H,20,21).
What are the key properties of 2,4-dichloro-N-[3-(2-methylpropoxy)phenyl]benzamide?
2,4-dichloro-N-[3-(2-methylpropoxy)phenyl]benzamide has a molecular weight of 338.23 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-(2-methylpropoxy)phenyl]benzamide is sourced from PubChem (CID 17079524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).