4-amino-3,5-dichloro-N-octylbenzamide

C15H22Cl2N2O — CID 82832749

IUPAC4-amino-3,5-dichloro-N-octylbenzamide
SMILESCCCCCCCCNC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2O/c1-2-3-4-5-6-7-8-19-15(20)11-9-12(16)14(18)13(17)10-11/h9-10H,2-8,18H2,1H3,(H,19,20)
InChIKeyKRVJVYNZSPCMLQ-UHFFFAOYSA-N
MW317.26 g/mol
LogP4.67
Rot. Bonds8

About 4-amino-3,5-dichloro-N-octylbenzamide

4-amino-3,5-dichloro-N-octylbenzamide (PubChem CID 82832749) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-octylbenzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-octylbenzamide
PubChem CID82832749
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name4-amino-3,5-dichloro-N-octylbenzamide
SMILESCCCCCCCCNC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2O/c1-2-3-4-5-6-7-8-19-15(20)11-9-12(16)14(18)13(17)10-11/h9-10H,2-8,18H2,1H3,(H,19,20)
InChIKeyKRVJVYNZSPCMLQ-UHFFFAOYSA-N
XLogP4.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-dichloro-N-pentylbenzamide
CID 82786165
4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide
CID 103872832
3,5-diamino-N-hexadecylbenzamide
CID 54469516
4-amino-3,5-dichloro-N-[4-(dimethylamino)butyl]benzamide
CID 82833147
3-chloro-N-decyl-4-iodobenzamide
CID 103222152
4-amino-N-butyl-3-chlorobenzamide
CID 59763688
3,4-diamino-N-dodecylbenzamide
CID 22411166
4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide
CID 82832737
4-amino-3,5-dichloro-N-[3-(2-methylpropoxy)propyl]benzamide
CID 82787820
2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-N-octyl-4-oxo-1H-quinoline-6-carboxamide
CID 52912386
4-amino-3-methyl-N-octylbenzamide
CID 115565914
3-amino-5-fluoro-N-hexyl-4-methylbenzamide
CID 61111175

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-octylbenzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-octylbenzamide (CID 82832749) is 4-amino-3,5-dichloro-N-octylbenzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-octylbenzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-octylbenzamide is CCCCCCCCNC(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-octylbenzamide?
The InChIKey is KRVJVYNZSPCMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-2-3-4-5-6-7-8-19-15(20)11-9-12(16)14(18)13(17)10-11/h9-10H,2-8,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-3,5-dichloro-N-octylbenzamide?
4-amino-3,5-dichloro-N-octylbenzamide has a molecular weight of 317.26 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-octylbenzamide is sourced from PubChem (CID 82832749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).