3-butan-2-yloxy-N-(2,4-dichlorophenyl)benzamide

C17H17Cl2NO2 — CID 17149678

IUPAC3-butan-2-yloxy-N-(2,4-dichlorophenyl)benzamide
SMILESCCC(C)Oc1cccc(C(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H17Cl2NO2/c1-3-11(2)22-14-6-4-5-12(9-14)17(21)20-16-8-7-13(18)10-15(16)19/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyQPWOYISTUFGCKC-UHFFFAOYSA-N
MW338.23 g/mol
LogP5.42
Rot. Bonds5

About 3-butan-2-yloxy-N-(2,4-dichlorophenyl)benzamide

3-butan-2-yloxy-N-(2,4-dichlorophenyl)benzamide (PubChem CID 17149678) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-(2,4-dichlorophenyl)benzamide.

Molecular Properties

Compound Name3-butan-2-yloxy-N-(2,4-dichlorophenyl)benzamide
PubChem CID17149678
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name3-butan-2-yloxy-N-(2,4-dichlorophenyl)benzamide
SMILESCCC(C)Oc1cccc(C(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H17Cl2NO2/c1-3-11(2)22-14-6-4-5-12(9-14)17(21)20-16-8-7-13(18)10-15(16)19/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyQPWOYISTUFGCKC-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

3-butan-2-yloxy-N-(3-chlorophenyl)benzamide
CID 17149674
3-[[3-[(2S)-butan-2-yl]oxybenzoyl]amino]-4-chlorobenzoic acid
CID 28673178
3-[(2S)-butan-2-yl]oxy-N'-(4-chlorobenzoyl)benzohydrazide
CID 40614005
3-butan-2-yloxy-N-(6-chloro-2-phenylbenzotriazol-5-yl)benzamide
CID 17220322
3-butan-2-yloxy-N-[(5-chloro-2-methylphenyl)carbamothioyl]benzamide
CID 17150097
4-butan-2-yloxy-N-(2-chlorophenyl)benzamide
CID 17141187
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-[(2S)-butan-2-yl]oxybenzamide
CID 41316307
3-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]-4-methylbenzoic acid
CID 28673203
3-butan-2-yloxy-N-(3-methylphenyl)benzamide
CID 17149681
3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide
CID 40976698
N-(4-amino-2-chlorophenyl)-3-ethoxybenzamide
CID 100829813
3-butan-2-yloxy-N-[3-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide
CID 17150561

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-(2,4-dichlorophenyl)benzamide?
The IUPAC name of 3-butan-2-yloxy-N-(2,4-dichlorophenyl)benzamide (CID 17149678) is 3-butan-2-yloxy-N-(2,4-dichlorophenyl)benzamide.
What is the SMILES notation for 3-butan-2-yloxy-N-(2,4-dichlorophenyl)benzamide?
The canonical SMILES for 3-butan-2-yloxy-N-(2,4-dichlorophenyl)benzamide is CCC(C)Oc1cccc(C(=O)Nc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-butan-2-yloxy-N-(2,4-dichlorophenyl)benzamide?
The InChIKey is QPWOYISTUFGCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-3-11(2)22-14-6-4-5-12(9-14)17(21)20-16-8-7-13(18)10-15(16)19/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of 3-butan-2-yloxy-N-(2,4-dichlorophenyl)benzamide?
3-butan-2-yloxy-N-(2,4-dichlorophenyl)benzamide 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 3-butan-2-yloxy-N-(2,4-dichlorophenyl)benzamide is sourced from PubChem (CID 17149678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).