N-(2-amino-4-fluorophenyl)-2-(4-methylazepan-1-yl)propanamide

C16H24FN3O — CID 63622745

IUPACN-(2-amino-4-fluorophenyl)-2-(4-methylazepan-1-yl)propanamide
SMILESCC1CCCN(C(C)C(=O)Nc2ccc(F)cc2N)CC1
InChIInChI=1S/C16H24FN3O/c1-11-4-3-8-20(9-7-11)12(2)16(21)19-15-6-5-13(17)10-14(15)18/h5-6,10-12H,3-4,7-9,18H2,1-2H3,(H,19,21)
InChIKeyRRDVDNAPQPUNKE-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.86
Rot. Bonds3

About N-(2-amino-4-fluorophenyl)-2-(4-methylazepan-1-yl)propanamide

N-(2-amino-4-fluorophenyl)-2-(4-methylazepan-1-yl)propanamide (PubChem CID 63622745) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-(4-methylazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-(4-methylazepan-1-yl)propanamide
PubChem CID63622745
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC NameN-(2-amino-4-fluorophenyl)-2-(4-methylazepan-1-yl)propanamide
SMILESCC1CCCN(C(C)C(=O)Nc2ccc(F)cc2N)CC1
InChIInChI=1S/C16H24FN3O/c1-11-4-3-8-20(9-7-11)12(2)16(21)19-15-6-5-13(17)10-14(15)18/h5-6,10-12H,3-4,7-9,18H2,1-2H3,(H,19,21)
InChIKeyRRDVDNAPQPUNKE-UHFFFAOYSA-N
XLogP2.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62124049
N-(2-amino-4-fluorophenyl)-2-(3-methoxypyrrolidin-1-yl)propanamide
CID 103530921
N-(2-amino-4-fluorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106668074
N-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 46630906
N-(2-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 42911884
2-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 18078449
(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 9444011
N-(4-amino-2-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 16779551
N-(2-amino-4-fluorophenyl)-2-(3,5-dioxopiperazin-1-yl)propanamide
CID 66084653
N-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)propanamide
CID 102956440
(2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 2690347
N-(2,4-difluorophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
CID 86914703

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-(4-methylazepan-1-yl)propanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-(4-methylazepan-1-yl)propanamide (CID 63622745) is N-(2-amino-4-fluorophenyl)-2-(4-methylazepan-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-(4-methylazepan-1-yl)propanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-(4-methylazepan-1-yl)propanamide is CC1CCCN(C(C)C(=O)Nc2ccc(F)cc2N)CC1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-(4-methylazepan-1-yl)propanamide?
The InChIKey is RRDVDNAPQPUNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-11-4-3-8-20(9-7-11)12(2)16(21)19-15-6-5-13(17)10-14(15)18/h5-6,10-12H,3-4,7-9,18H2,1-2H3,(H,19,21).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-(4-methylazepan-1-yl)propanamide?
N-(2-amino-4-fluorophenyl)-2-(4-methylazepan-1-yl)propanamide has a molecular weight of 293.39 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-2-(4-methylazepan-1-yl)propanamide is sourced from PubChem (CID 63622745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).