2-amino-5-[(2,4-dimethylcyclohexyl)amino]-4-fluorobenzamide

C15H22FN3O — CID 63998408

IUPAC2-amino-5-[(2,4-dimethylcyclohexyl)amino]-4-fluorobenzamide
SMILESCC1CCC(Nc2cc(C(N)=O)c(N)cc2F)C(C)C1
InChIInChI=1S/C15H22FN3O/c1-8-3-4-13(9(2)5-8)19-14-6-10(15(18)20)12(17)7-11(14)16/h6-9,13,19H,3-5,17H2,1-2H3,(H2,18,20)
InChIKeyMZIMGAMGUWIGKF-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.74
Rot. Bonds3

About 2-amino-5-[(2,4-dimethylcyclohexyl)amino]-4-fluorobenzamide

2-amino-5-[(2,4-dimethylcyclohexyl)amino]-4-fluorobenzamide (PubChem CID 63998408) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-amino-5-[(2,4-dimethylcyclohexyl)amino]-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-5-[(2,4-dimethylcyclohexyl)amino]-4-fluorobenzamide
PubChem CID63998408
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-amino-5-[(2,4-dimethylcyclohexyl)amino]-4-fluorobenzamide
SMILESCC1CCC(Nc2cc(C(N)=O)c(N)cc2F)C(C)C1
InChIInChI=1S/C15H22FN3O/c1-8-3-4-13(9(2)5-8)19-14-6-10(15(18)20)12(17)7-11(14)16/h6-9,13,19H,3-5,17H2,1-2H3,(H2,18,20)
InChIKeyMZIMGAMGUWIGKF-UHFFFAOYSA-N
XLogP2.74
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2,4-dimethylcyclohexyl)amino]-4-fluorobenzamide?
The IUPAC name of 2-amino-5-[(2,4-dimethylcyclohexyl)amino]-4-fluorobenzamide (CID 63998408) is 2-amino-5-[(2,4-dimethylcyclohexyl)amino]-4-fluorobenzamide.
What is the SMILES notation for 2-amino-5-[(2,4-dimethylcyclohexyl)amino]-4-fluorobenzamide?
The canonical SMILES for 2-amino-5-[(2,4-dimethylcyclohexyl)amino]-4-fluorobenzamide is CC1CCC(Nc2cc(C(N)=O)c(N)cc2F)C(C)C1.
What is the InChIKey of 2-amino-5-[(2,4-dimethylcyclohexyl)amino]-4-fluorobenzamide?
The InChIKey is MZIMGAMGUWIGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-8-3-4-13(9(2)5-8)19-14-6-10(15(18)20)12(17)7-11(14)16/h6-9,13,19H,3-5,17H2,1-2H3,(H2,18,20).
What are the key properties of 2-amino-5-[(2,4-dimethylcyclohexyl)amino]-4-fluorobenzamide?
2-amino-5-[(2,4-dimethylcyclohexyl)amino]-4-fluorobenzamide has a molecular weight of 279.36 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2,4-dimethylcyclohexyl)amino]-4-fluorobenzamide is sourced from PubChem (CID 63998408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).