5-amino-2,3-dichloro-N-(2,2-dimethylcyclohexyl)benzamide

C15H20Cl2N2O — CID 107185521

IUPAC5-amino-2,3-dichloro-N-(2,2-dimethylcyclohexyl)benzamide
SMILESCC1(C)CCCCC1NC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C15H20Cl2N2O/c1-15(2)6-4-3-5-12(15)19-14(20)10-7-9(18)8-11(16)13(10)17/h7-8,12H,3-6,18H2,1-2H3,(H,19,20)
InChIKeyPKFGWSXNINDTNI-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.27
Rot. Bonds2

About 5-amino-2,3-dichloro-N-(2,2-dimethylcyclohexyl)benzamide

5-amino-2,3-dichloro-N-(2,2-dimethylcyclohexyl)benzamide (PubChem CID 107185521) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-(2,2-dimethylcyclohexyl)benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-(2,2-dimethylcyclohexyl)benzamide
PubChem CID107185521
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name5-amino-2,3-dichloro-N-(2,2-dimethylcyclohexyl)benzamide
SMILESCC1(C)CCCCC1NC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C15H20Cl2N2O/c1-15(2)6-4-3-5-12(15)19-14(20)10-7-9(18)8-11(16)13(10)17/h7-8,12H,3-6,18H2,1-2H3,(H,19,20)
InChIKeyPKFGWSXNINDTNI-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-(2,2-dimethylcyclohexyl)benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-(2,2-dimethylcyclohexyl)benzamide (CID 107185521) is 5-amino-2,3-dichloro-N-(2,2-dimethylcyclohexyl)benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-(2,2-dimethylcyclohexyl)benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-(2,2-dimethylcyclohexyl)benzamide is CC1(C)CCCCC1NC(=O)c1cc(N)cc(Cl)c1Cl.
What is the InChIKey of 5-amino-2,3-dichloro-N-(2,2-dimethylcyclohexyl)benzamide?
The InChIKey is PKFGWSXNINDTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-15(2)6-4-3-5-12(15)19-14(20)10-7-9(18)8-11(16)13(10)17/h7-8,12H,3-6,18H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-2,3-dichloro-N-(2,2-dimethylcyclohexyl)benzamide?
5-amino-2,3-dichloro-N-(2,2-dimethylcyclohexyl)benzamide has a molecular weight of 315.24 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-(2,2-dimethylcyclohexyl)benzamide is sourced from PubChem (CID 107185521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).