(2-amino-5-fluoro-3-nitrophenyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone

C19H19F2N3O3 — CID 71938373

IUPAC(2-amino-5-fluoro-3-nitrophenyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone
SMILESNc1c(C(=O)N2CCC(Cc3cccc(F)c3)CC2)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C19H19F2N3O3/c20-14-3-1-2-13(9-14)8-12-4-6-23(7-5-12)19(25)16-10-15(21)11-17(18(16)22)24(26)27/h1-3,9-12H,4-8,22H2
InChIKeyKUGKVDFGFDBYPD-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.55
Rot. Bonds4

About (2-amino-5-fluoro-3-nitrophenyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone

(2-amino-5-fluoro-3-nitrophenyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone (PubChem CID 71938373) has the molecular formula C19H19F2N3O3 and a molecular weight of 375.38 g/mol. Its IUPAC name is (2-amino-5-fluoro-3-nitrophenyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-5-fluoro-3-nitrophenyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone
PubChem CID71938373
Molecular FormulaC19H19F2N3O3
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name(2-amino-5-fluoro-3-nitrophenyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone
SMILESNc1c(C(=O)N2CCC(Cc3cccc(F)c3)CC2)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C19H19F2N3O3/c20-14-3-1-2-13(9-14)8-12-4-6-23(7-5-12)19(25)16-10-15(21)11-17(18(16)22)24(26)27/h1-3,9-12H,4-8,22H2
InChIKeyKUGKVDFGFDBYPD-UHFFFAOYSA-N
XLogP3.55
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-fluoro-3-nitrophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544910
5-fluoro-3-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 136554321
(2-amino-5-fluoro-3-nitrophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119402010
(2-amino-3-nitrophenyl)-(4-ethylpiperidin-1-yl)methanone
CID 115678709
[4-(chloromethyl)piperidin-1-yl]-(2,5-difluoro-3-nitrophenyl)methanone
CID 107123463
(4-ethylpiperidin-1-yl)-(5-fluoro-2-nitrophenyl)methanone
CID 61053031
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1-oxidopyridin-1-ium-2-yl)methanone
CID 136577859
(2-amino-5-fluoro-3-nitrophenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 51089852
(2-amino-5-fluoro-3-nitrophenyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone
CID 55973500
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1H-indazol-4-yl)methanone
CID 71938369
[(3S)-3-aminopyrrolidin-1-yl]-(2,5-difluoro-3-nitrophenyl)methanone
CID 107122675
2,2,2-trifluoro-1-[(3S)-3-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone
CID 90117452

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluoro-3-nitrophenyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-amino-5-fluoro-3-nitrophenyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone (CID 71938373) is (2-amino-5-fluoro-3-nitrophenyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-5-fluoro-3-nitrophenyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-5-fluoro-3-nitrophenyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone is Nc1c(C(=O)N2CCC(Cc3cccc(F)c3)CC2)cc(F)cc1[N+](=O)[O-].
What is the InChIKey of (2-amino-5-fluoro-3-nitrophenyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is KUGKVDFGFDBYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3/c20-14-3-1-2-13(9-14)8-12-4-6-23(7-5-12)19(25)16-10-15(21)11-17(18(16)22)24(26)27/h1-3,9-12H,4-8,22H2.
What are the key properties of (2-amino-5-fluoro-3-nitrophenyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone?
(2-amino-5-fluoro-3-nitrophenyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 375.38 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluoro-3-nitrophenyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 71938373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).