N,2-bis[(4-fluorophenyl)methyl]-N'-hydroxypropanediamide

C17H16F2N2O3 — CID 71457394

IUPACN,2-bis[(4-fluorophenyl)methyl]-N'-hydroxypropanediamide
SMILESO=C(NO)C(Cc1ccc(F)cc1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H16F2N2O3/c18-13-5-1-11(2-6-13)9-15(17(23)21-24)16(22)20-10-12-3-7-14(19)8-4-12/h1-8,15,24H,9-10H2,(H,20,22)(H,21,23)
InChIKeyRDXBTUMSUACFNS-UHFFFAOYSA-N
MW334.32 g/mol
LogP1.95
Rot. Bonds6

About N,2-bis[(4-fluorophenyl)methyl]-N'-hydroxypropanediamide

N,2-bis[(4-fluorophenyl)methyl]-N'-hydroxypropanediamide (PubChem CID 71457394) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is N,2-bis[(4-fluorophenyl)methyl]-N'-hydroxypropanediamide.

Molecular Properties

Compound NameN,2-bis[(4-fluorophenyl)methyl]-N'-hydroxypropanediamide
PubChem CID71457394
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC NameN,2-bis[(4-fluorophenyl)methyl]-N'-hydroxypropanediamide
SMILESO=C(NO)C(Cc1ccc(F)cc1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H16F2N2O3/c18-13-5-1-11(2-6-13)9-15(17(23)21-24)16(22)20-10-12-3-7-14(19)8-4-12/h1-8,15,24H,9-10H2,(H,20,22)(H,21,23)
InChIKeyRDXBTUMSUACFNS-UHFFFAOYSA-N
XLogP1.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 104904605
(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
2-[(4-fluorophenyl)methyl]propanedioic acid
CID 15120643
N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2178334
2-bromo-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 24695966
4-[[2-[2-[[2-benzyl-3-(hydroxyamino)-3-oxopropanoyl]amino]ethyl]pentanoylamino]methyl]benzoic acid
CID 87165951
4-amino-N-[(4-fluorophenyl)methyl]-2-hydroxybutanamide
CID 82679395
(2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide
CID 51946192
N-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide
CID 44996874
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923
N'-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)oxamide
CID 44996845
(2S)-2-acetamido-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 7478812

Frequently Asked Questions

What is the IUPAC name of N,2-bis[(4-fluorophenyl)methyl]-N'-hydroxypropanediamide?
The IUPAC name of N,2-bis[(4-fluorophenyl)methyl]-N'-hydroxypropanediamide (CID 71457394) is N,2-bis[(4-fluorophenyl)methyl]-N'-hydroxypropanediamide.
What is the SMILES notation for N,2-bis[(4-fluorophenyl)methyl]-N'-hydroxypropanediamide?
The canonical SMILES for N,2-bis[(4-fluorophenyl)methyl]-N'-hydroxypropanediamide is O=C(NO)C(Cc1ccc(F)cc1)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N,2-bis[(4-fluorophenyl)methyl]-N'-hydroxypropanediamide?
The InChIKey is RDXBTUMSUACFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c18-13-5-1-11(2-6-13)9-15(17(23)21-24)16(22)20-10-12-3-7-14(19)8-4-12/h1-8,15,24H,9-10H2,(H,20,22)(H,21,23).
What are the key properties of N,2-bis[(4-fluorophenyl)methyl]-N'-hydroxypropanediamide?
N,2-bis[(4-fluorophenyl)methyl]-N'-hydroxypropanediamide has a molecular weight of 334.32 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis[(4-fluorophenyl)methyl]-N'-hydroxypropanediamide is sourced from PubChem (CID 71457394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).