N-(4-butan-2-yloxyphenyl)-2,4-dichlorobenzamide

C17H17Cl2NO2 — CID 17160527

IUPACN-(4-butan-2-yloxyphenyl)-2,4-dichlorobenzamide
SMILESCCC(C)Oc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO2/c1-3-11(2)22-14-7-5-13(6-8-14)20-17(21)15-9-4-12(18)10-16(15)19/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyLVPLKMCDMRPZQB-UHFFFAOYSA-N
MW338.23 g/mol
LogP5.42
Rot. Bonds5

About N-(4-butan-2-yloxyphenyl)-2,4-dichlorobenzamide

N-(4-butan-2-yloxyphenyl)-2,4-dichlorobenzamide (PubChem CID 17160527) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is N-(4-butan-2-yloxyphenyl)-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(4-butan-2-yloxyphenyl)-2,4-dichlorobenzamide
PubChem CID17160527
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC NameN-(4-butan-2-yloxyphenyl)-2,4-dichlorobenzamide
SMILESCCC(C)Oc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO2/c1-3-11(2)22-14-7-5-13(6-8-14)20-17(21)15-9-4-12(18)10-16(15)19/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyLVPLKMCDMRPZQB-UHFFFAOYSA-N
XLogP5.42
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 ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-(4-propoxyphenyl)benzamide
CID 4942968
2,4-dichloro-N-[4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]benzamide
CID 2263896
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
2,4-dichloro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116219
2,4-dichloro-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154669
2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
CID 42561530
N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide
CID 43321115
N-(4-butan-2-yloxyphenyl)acetamide
CID 17142081
2,4-dichloro-N'-(4-propan-2-yloxybenzoyl)benzohydrazide
CID 4952081
4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide
CID 17141302
2,4-dichloro-N-(4-sulfanylphenyl)benzamide
CID 143459356
N-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide
CID 2261087

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-yloxyphenyl)-2,4-dichlorobenzamide?
The IUPAC name of N-(4-butan-2-yloxyphenyl)-2,4-dichlorobenzamide (CID 17160527) is N-(4-butan-2-yloxyphenyl)-2,4-dichlorobenzamide.
What is the SMILES notation for N-(4-butan-2-yloxyphenyl)-2,4-dichlorobenzamide?
The canonical SMILES for N-(4-butan-2-yloxyphenyl)-2,4-dichlorobenzamide is CCC(C)Oc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-(4-butan-2-yloxyphenyl)-2,4-dichlorobenzamide?
The InChIKey is LVPLKMCDMRPZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-3-11(2)22-14-7-5-13(6-8-14)20-17(21)15-9-4-12(18)10-16(15)19/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(4-butan-2-yloxyphenyl)-2,4-dichlorobenzamide?
N-(4-butan-2-yloxyphenyl)-2,4-dichlorobenzamide has a molecular weight of 338.23 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-yloxyphenyl)-2,4-dichlorobenzamide is sourced from PubChem (CID 17160527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).