3-butoxy-N-(2,5-dichlorophenyl)benzamide

C17H17Cl2NO2 — CID 4956542

IUPAC3-butoxy-N-(2,5-dichlorophenyl)benzamide
SMILESCCCCOc1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C17H17Cl2NO2/c1-2-3-9-22-14-6-4-5-12(10-14)17(21)20-16-11-13(18)7-8-15(16)19/h4-8,10-11H,2-3,9H2,1H3,(H,20,21)
InChIKeyZKFOBNSGOYVXHK-UHFFFAOYSA-N
MW338.23 g/mol
LogP5.42
Rot. Bonds6

About 3-butoxy-N-(2,5-dichlorophenyl)benzamide

3-butoxy-N-(2,5-dichlorophenyl)benzamide (PubChem CID 4956542) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 3-butoxy-N-(2,5-dichlorophenyl)benzamide.

Molecular Properties

Compound Name3-butoxy-N-(2,5-dichlorophenyl)benzamide
PubChem CID4956542
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name3-butoxy-N-(2,5-dichlorophenyl)benzamide
SMILESCCCCOc1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C17H17Cl2NO2/c1-2-3-9-22-14-6-4-5-12(10-14)17(21)20-16-11-13(18)7-8-15(16)19/h4-8,10-11H,2-3,9H2,1H3,(H,20,21)
InChIKeyZKFOBNSGOYVXHK-UHFFFAOYSA-N
XLogP5.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.23
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide
CID 2261087
1-N-butyl-3-N-(2,5-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109051226
3-butoxy-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]benzamide
CID 95733544
N-[5-(butanoylamino)-2-chlorophenyl]-3-propoxybenzamide
CID 4508582
3-butoxy-N-[(5-chloro-2-methoxyphenyl)carbamothioyl]benzamide
CID 2174385
4-[2-(3-butoxybenzoyl)hydrazinyl]-N-(2,4-dichlorophenyl)-4-oxobutanamide
CID 4956746
N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide
CID 17110524
4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide
CID 9440425
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
3-butoxy-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 2292092
2-[(3-butoxybenzoyl)amino]-N-methylbenzamide
CID 17354046
3-chloro-N-(3-hexoxyphenyl)benzamide
CID 17094792

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-(2,5-dichlorophenyl)benzamide?
The IUPAC name of 3-butoxy-N-(2,5-dichlorophenyl)benzamide (CID 4956542) is 3-butoxy-N-(2,5-dichlorophenyl)benzamide.
What is the SMILES notation for 3-butoxy-N-(2,5-dichlorophenyl)benzamide?
The canonical SMILES for 3-butoxy-N-(2,5-dichlorophenyl)benzamide is CCCCOc1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 3-butoxy-N-(2,5-dichlorophenyl)benzamide?
The InChIKey is ZKFOBNSGOYVXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-2-3-9-22-14-6-4-5-12(10-14)17(21)20-16-11-13(18)7-8-15(16)19/h4-8,10-11H,2-3,9H2,1H3,(H,20,21).
What are the key properties of 3-butoxy-N-(2,5-dichlorophenyl)benzamide?
3-butoxy-N-(2,5-dichlorophenyl)benzamide has a molecular weight of 338.23 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-(2,5-dichlorophenyl)benzamide is sourced from PubChem (CID 4956542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).