4-butoxy-3-(cyclobutanecarbonylamino)-N-(3,4-dichlorophenyl)benzamide

C22H24Cl2N2O3 — CID 118877989

IUPAC4-butoxy-3-(cyclobutanecarbonylamino)-N-(3,4-dichlorophenyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1NC(=O)C1CCC1
InChIInChI=1S/C22H24Cl2N2O3/c1-2-3-11-29-20-10-7-15(12-19(20)26-21(27)14-5-4-6-14)22(28)25-16-8-9-17(23)18(24)13-16/h7-10,12-14H,2-6,11H2,1H3,(H,25,28)(H,26,27)
InChIKeyLKDBFCKIDQNQCK-UHFFFAOYSA-N
MW435.35 g/mol
LogP6.16
Rot. Bonds8

About 4-butoxy-3-(cyclobutanecarbonylamino)-N-(3,4-dichlorophenyl)benzamide

4-butoxy-3-(cyclobutanecarbonylamino)-N-(3,4-dichlorophenyl)benzamide (PubChem CID 118877989) has the molecular formula C22H24Cl2N2O3 and a molecular weight of 435.35 g/mol. Its IUPAC name is 4-butoxy-3-(cyclobutanecarbonylamino)-N-(3,4-dichlorophenyl)benzamide.

Molecular Properties

Compound Name4-butoxy-3-(cyclobutanecarbonylamino)-N-(3,4-dichlorophenyl)benzamide
PubChem CID118877989
Molecular FormulaC22H24Cl2N2O3
Molecular Weight435.35 g/mol
Exact Mass434.12
IUPAC Name4-butoxy-3-(cyclobutanecarbonylamino)-N-(3,4-dichlorophenyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1NC(=O)C1CCC1
InChIInChI=1S/C22H24Cl2N2O3/c1-2-3-11-29-20-10-7-15(12-19(20)26-21(27)14-5-4-6-14)22(28)25-16-8-9-17(23)18(24)13-16/h7-10,12-14H,2-6,11H2,1H3,(H,25,28)(H,26,27)
InChIKeyLKDBFCKIDQNQCK-UHFFFAOYSA-N
XLogP6.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.35
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-(3,4-dichlorophenyl)-3-nitrobenzamide
CID 118878011
3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 17342688
N-(3,4-dichlorophenyl)-4-hexoxybenzamide
CID 4933556
4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide
CID 18848325
4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
CID 2187837
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387
N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide
CID 78779732
3-bromo-4-butoxy-N-(3-chloro-4-fluorophenyl)benzamide
CID 4955807
1-(2-butoxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 19187559
N-[5-[(3,4-dichlorophenyl)carbamoyl]-2-methoxyphenyl]adamantane-2-carboxamide
CID 118878029
3-(cyclopentanecarbonylamino)-4-methoxy-N-phenylbenzamide
CID 70686592
N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide
CID 82156326

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-(cyclobutanecarbonylamino)-N-(3,4-dichlorophenyl)benzamide?
The IUPAC name of 4-butoxy-3-(cyclobutanecarbonylamino)-N-(3,4-dichlorophenyl)benzamide (CID 118877989) is 4-butoxy-3-(cyclobutanecarbonylamino)-N-(3,4-dichlorophenyl)benzamide.
What is the SMILES notation for 4-butoxy-3-(cyclobutanecarbonylamino)-N-(3,4-dichlorophenyl)benzamide?
The canonical SMILES for 4-butoxy-3-(cyclobutanecarbonylamino)-N-(3,4-dichlorophenyl)benzamide is CCCCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1NC(=O)C1CCC1.
What is the InChIKey of 4-butoxy-3-(cyclobutanecarbonylamino)-N-(3,4-dichlorophenyl)benzamide?
The InChIKey is LKDBFCKIDQNQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O3/c1-2-3-11-29-20-10-7-15(12-19(20)26-21(27)14-5-4-6-14)22(28)25-16-8-9-17(23)18(24)13-16/h7-10,12-14H,2-6,11H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 4-butoxy-3-(cyclobutanecarbonylamino)-N-(3,4-dichlorophenyl)benzamide?
4-butoxy-3-(cyclobutanecarbonylamino)-N-(3,4-dichlorophenyl)benzamide has a molecular weight of 435.35 g/mol, XLogP of 6.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-(cyclobutanecarbonylamino)-N-(3,4-dichlorophenyl)benzamide is sourced from PubChem (CID 118877989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).