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

C15H20Cl2N2O — CID 61090105

IUPAC3-amino-4,5-dichloro-N-cyclooctylbenzamide
SMILESNc1cc(C(=O)NC2CCCCCCC2)cc(Cl)c1Cl
InChIInChI=1S/C15H20Cl2N2O/c16-12-8-10(9-13(18)14(12)17)15(20)19-11-6-4-2-1-3-5-7-11/h8-9,11H,1-7,18H2,(H,19,20)
InChIKeyNJYLSESEMUCCIW-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.42
Rot. Bonds2

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

3-amino-4,5-dichloro-N-cyclooctylbenzamide (PubChem CID 61090105) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-cyclooctylbenzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-cyclooctylbenzamide
PubChem CID61090105
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name3-amino-4,5-dichloro-N-cyclooctylbenzamide
SMILESNc1cc(C(=O)NC2CCCCCCC2)cc(Cl)c1Cl
InChIInChI=1S/C15H20Cl2N2O/c16-12-8-10(9-13(18)14(12)17)15(20)19-11-6-4-2-1-3-5-7-11/h8-9,11H,1-7,18H2,(H,19,20)
InChIKeyNJYLSESEMUCCIW-UHFFFAOYSA-N
XLogP4.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4,5-dichloro-N-(1,1-dioxothian-3-yl)benzamide
CID 63924264
3,4-dichloro-N-cyclopentyl-5-sulfamoylbenzamide
CID 65375967
3-amino-4,5-dichloro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358612
6-amino-5-chloro-N-cyclooctylpyridine-3-carboxamide
CID 62152170
3-amino-4,5-dichloro-N-(3-methoxycyclobutyl)benzamide
CID 114118479
3,5-diamino-N-cyclooctylbenzamide
CID 61092511
2,6-dichloro-N-cyclohexylpyridine-4-carboxamide
CID 26719449
4-[(4-amino-3,5-dichlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 82811425
4-bromo-3-chloro-N-cyclohexylbenzamide
CID 81295345
4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide
CID 23880547
3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide
CID 60861850
3-amino-4,5-dichloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80715634

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-cyclooctylbenzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-cyclooctylbenzamide (CID 61090105) is 3-amino-4,5-dichloro-N-cyclooctylbenzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-cyclooctylbenzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-cyclooctylbenzamide is Nc1cc(C(=O)NC2CCCCCCC2)cc(Cl)c1Cl.
What is the InChIKey of 3-amino-4,5-dichloro-N-cyclooctylbenzamide?
The InChIKey is NJYLSESEMUCCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c16-12-8-10(9-13(18)14(12)17)15(20)19-11-6-4-2-1-3-5-7-11/h8-9,11H,1-7,18H2,(H,19,20).
What are the key properties of 3-amino-4,5-dichloro-N-cyclooctylbenzamide?
3-amino-4,5-dichloro-N-cyclooctylbenzamide has a molecular weight of 315.24 g/mol, XLogP of 4.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dichloro-N-cyclooctylbenzamide is sourced from PubChem (CID 61090105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).