2-(2,4-difluorophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]piperidine-1-carboxamide

C20H21F2N3O3 — CID 154250205

IUPAC2-(2,4-difluorophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(NO)c1ccc(CNC(=O)N2CCCCC2c2ccc(F)cc2F)cc1
InChIInChI=1S/C20H21F2N3O3/c21-15-8-9-16(17(22)11-15)18-3-1-2-10-25(18)20(27)23-12-13-4-6-14(7-5-13)19(26)24-28/h4-9,11,18,28H,1-3,10,12H2,(H,23,27)(H,24,26)
InChIKeyIXDYFKKHSASBAF-UHFFFAOYSA-N
MW389.40 g/mol
LogP3.52
Rot. Bonds4

About 2-(2,4-difluorophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]piperidine-1-carboxamide

2-(2,4-difluorophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 154250205) has the molecular formula C20H21F2N3O3 and a molecular weight of 389.40 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]piperidine-1-carboxamide
PubChem CID154250205
Molecular FormulaC20H21F2N3O3
Molecular Weight389.40 g/mol
Exact Mass389.16
IUPAC Name2-(2,4-difluorophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(NO)c1ccc(CNC(=O)N2CCCCC2c2ccc(F)cc2F)cc1
InChIInChI=1S/C20H21F2N3O3/c21-15-8-9-16(17(22)11-15)18-3-1-2-10-25(18)20(27)23-12-13-4-6-14(7-5-13)19(26)24-28/h4-9,11,18,28H,1-3,10,12H2,(H,23,27)(H,24,26)
InChIKeyIXDYFKKHSASBAF-UHFFFAOYSA-N
XLogP3.52
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076857
(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 95058066
N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 146085152
[2-(2,4-difluorophenyl)piperidin-1-yl]-(1,1-dioxothian-4-yl)methanone
CID 158337331
(2S)-N-benzyl-2-(2-chlorophenyl)azepane-1-carboxamide
CID 93076759
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 53338102
N-[(4-fluorophenyl)methyl]-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 53338110
2-(3-ethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 50945289
[2-(2,4-difluorophenyl)piperidin-1-yl]-[3-(2H-tetrazol-5-ylamino)phenyl]methanone
CID 154850090
N-[(3-fluorophenyl)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 108898597
(6aS)-N-[(4-fluorophenyl)methyl]-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide
CID 92726258
N-[(4-fluorophenyl)methyl]-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide
CID 46349902

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]piperidine-1-carboxamide (CID 154250205) is 2-(2,4-difluorophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]piperidine-1-carboxamide is O=C(NO)c1ccc(CNC(=O)N2CCCCC2c2ccc(F)cc2F)cc1.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is IXDYFKKHSASBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O3/c21-15-8-9-16(17(22)11-15)18-3-1-2-10-25(18)20(27)23-12-13-4-6-14(7-5-13)19(26)24-28/h4-9,11,18,28H,1-3,10,12H2,(H,23,27)(H,24,26).
What are the key properties of 2-(2,4-difluorophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]piperidine-1-carboxamide?
2-(2,4-difluorophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 389.40 g/mol, XLogP of 3.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 154250205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).