(5-amino-2-fluoro-3-methylphenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C17H23FN2O — CID 103296901

IUPAC(5-amino-2-fluoro-3-methylphenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCc1cc(N)cc(C(=O)N2CC=C(C(C)(C)C)CC2)c1F
InChIInChI=1S/C17H23FN2O/c1-11-9-13(19)10-14(15(11)18)16(21)20-7-5-12(6-8-20)17(2,3)4/h5,9-10H,6-8,19H2,1-4H3
InChIKeyHIBDHZNHHLAZPR-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.53
Rot. Bonds1

About (5-amino-2-fluoro-3-methylphenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone

(5-amino-2-fluoro-3-methylphenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 103296901) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is (5-amino-2-fluoro-3-methylphenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-fluoro-3-methylphenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID103296901
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name(5-amino-2-fluoro-3-methylphenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCc1cc(N)cc(C(=O)N2CC=C(C(C)(C)C)CC2)c1F
InChIInChI=1S/C17H23FN2O/c1-11-9-13(19)10-14(15(11)18)16(21)20-7-5-12(6-8-20)17(2,3)4/h5,9-10H,6-8,19H2,1-4H3
InChIKeyHIBDHZNHHLAZPR-UHFFFAOYSA-N
XLogP3.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-fluorophenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114459701
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2-fluoro-3-methylphenyl)methanone
CID 115776511
(5-amino-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone
CID 103295707
(5-amino-2-fluoro-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 103296424
(5-bromo-2-methylphenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114460092
4-(5-amino-2-fluoro-3-methylbenzoyl)piperazine-1-sulfonamide
CID 103296196
(4-amino-5-methylthiophen-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114459638
(5-amino-2-fluoro-3-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 103295916
N-[1-(5-amino-2-fluoro-3-methylbenzoyl)piperidin-4-yl]acetamide
CID 103296776
(4-amino-1-ethylpyrrol-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114459636
(4-amino-3-bromophenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114460020
(3-amino-4-bromophenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114459659

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-fluoro-3-methylphenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (5-amino-2-fluoro-3-methylphenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 103296901) is (5-amino-2-fluoro-3-methylphenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-fluoro-3-methylphenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (5-amino-2-fluoro-3-methylphenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone is Cc1cc(N)cc(C(=O)N2CC=C(C(C)(C)C)CC2)c1F.
What is the InChIKey of (5-amino-2-fluoro-3-methylphenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is HIBDHZNHHLAZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-11-9-13(19)10-14(15(11)18)16(21)20-7-5-12(6-8-20)17(2,3)4/h5,9-10H,6-8,19H2,1-4H3.
What are the key properties of (5-amino-2-fluoro-3-methylphenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(5-amino-2-fluoro-3-methylphenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 290.38 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-fluoro-3-methylphenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 103296901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).