N-(4-acetamidobutyl)-3,4-dichlorobenzamide

C13H16Cl2N2O2 — CID 110358538

IUPACN-(4-acetamidobutyl)-3,4-dichlorobenzamide
SMILESCC(=O)NCCCCNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c1-9(18)16-6-2-3-7-17-13(19)10-4-5-11(14)12(15)8-10/h4-5,8H,2-3,6-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyFSZBNEHJVVQBSK-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.64
Rot. Bonds6

About N-(4-acetamidobutyl)-3,4-dichlorobenzamide

N-(4-acetamidobutyl)-3,4-dichlorobenzamide (PubChem CID 110358538) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is N-(4-acetamidobutyl)-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(4-acetamidobutyl)-3,4-dichlorobenzamide
PubChem CID110358538
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC NameN-(4-acetamidobutyl)-3,4-dichlorobenzamide
SMILESCC(=O)NCCCCNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c1-9(18)16-6-2-3-7-17-13(19)10-4-5-11(14)12(15)8-10/h4-5,8H,2-3,6-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyFSZBNEHJVVQBSK-UHFFFAOYSA-N
XLogP2.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-chloro-N-(6-hydroxyhexyl)-3-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidobutyl)-3,4-dichlorobenzamide?
The IUPAC name of N-(4-acetamidobutyl)-3,4-dichlorobenzamide (CID 110358538) is N-(4-acetamidobutyl)-3,4-dichlorobenzamide.
What is the SMILES notation for N-(4-acetamidobutyl)-3,4-dichlorobenzamide?
The canonical SMILES for N-(4-acetamidobutyl)-3,4-dichlorobenzamide is CC(=O)NCCCCNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(4-acetamidobutyl)-3,4-dichlorobenzamide?
The InChIKey is FSZBNEHJVVQBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-9(18)16-6-2-3-7-17-13(19)10-4-5-11(14)12(15)8-10/h4-5,8H,2-3,6-7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(4-acetamidobutyl)-3,4-dichlorobenzamide?
N-(4-acetamidobutyl)-3,4-dichlorobenzamide has a molecular weight of 303.19 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidobutyl)-3,4-dichlorobenzamide is sourced from PubChem (CID 110358538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).