(5-amino-2,4-difluorophenyl)-(2-ethylazepan-1-yl)methanone

C15H20F2N2O — CID 104688589

IUPAC(5-amino-2,4-difluorophenyl)-(2-ethylazepan-1-yl)methanone
SMILESCCC1CCCCCN1C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C15H20F2N2O/c1-2-10-6-4-3-5-7-19(10)15(20)11-8-14(18)13(17)9-12(11)16/h8-10H,2-7,18H2,1H3
InChIKeyRKQFJONAJWREOR-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.34
Rot. Bonds2

About (5-amino-2,4-difluorophenyl)-(2-ethylazepan-1-yl)methanone

(5-amino-2,4-difluorophenyl)-(2-ethylazepan-1-yl)methanone (PubChem CID 104688589) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is (5-amino-2,4-difluorophenyl)-(2-ethylazepan-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2,4-difluorophenyl)-(2-ethylazepan-1-yl)methanone
PubChem CID104688589
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name(5-amino-2,4-difluorophenyl)-(2-ethylazepan-1-yl)methanone
SMILESCCC1CCCCCN1C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C15H20F2N2O/c1-2-10-6-4-3-5-7-19(10)15(20)11-8-14(18)13(17)9-12(11)16/h8-10H,2-7,18H2,1H3
InChIKeyRKQFJONAJWREOR-UHFFFAOYSA-N
XLogP3.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5-amino-2,4-difluorophenyl)-(2-ethylazepan-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-diaminophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 61095162
(2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 62510714
[2-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 112701238
(5-amino-2-bromo-4-fluorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62814891
[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-(2-ethylpiperidin-1-yl)methanone
CID 60821735
(2,5-difluoro-4-nitrophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 104699277
(4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793408
(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone
CID 112692526
(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 5060806
(4-amino-3,5-dichlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 115869139
(3-amino-4,5-dichlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 104688588
[3,5-difluoro-4-(methylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 63187071

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,4-difluorophenyl)-(2-ethylazepan-1-yl)methanone?
The IUPAC name of (5-amino-2,4-difluorophenyl)-(2-ethylazepan-1-yl)methanone (CID 104688589) is (5-amino-2,4-difluorophenyl)-(2-ethylazepan-1-yl)methanone.
What is the SMILES notation for (5-amino-2,4-difluorophenyl)-(2-ethylazepan-1-yl)methanone?
The canonical SMILES for (5-amino-2,4-difluorophenyl)-(2-ethylazepan-1-yl)methanone is CCC1CCCCCN1C(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of (5-amino-2,4-difluorophenyl)-(2-ethylazepan-1-yl)methanone?
The InChIKey is RKQFJONAJWREOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-2-10-6-4-3-5-7-19(10)15(20)11-8-14(18)13(17)9-12(11)16/h8-10H,2-7,18H2,1H3.
What are the key properties of (5-amino-2,4-difluorophenyl)-(2-ethylazepan-1-yl)methanone?
(5-amino-2,4-difluorophenyl)-(2-ethylazepan-1-yl)methanone has a molecular weight of 282.33 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,4-difluorophenyl)-(2-ethylazepan-1-yl)methanone is sourced from PubChem (CID 104688589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).