2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide;N-[(3-phenylphenyl)methyl]butan-1-amine

C26H32FN3O2 — CID 143730608

IUPAC2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide;N-[(3-phenylphenyl)methyl]butan-1-amine
SMILESCCCCNCc1cccc(-c2ccccc2)c1.Cc1cc(NCC(=O)NO)ccc1F
InChIInChI=1S/C17H21N.C9H11FN2O2/c1-2-3-12-18-14-15-8-7-11-17(13-15)16-9-5-4-6-10-16;1-6-4-7(2-3-8(6)10)11-5-9(13)12-14/h4-11,13,18H,2-3,12,14H2,1H3;2-4,11,14H,5H2,1H3,(H,12,13)
InChIKeyXXNRIVCSLAALRU-UHFFFAOYSA-N
MW437.56 g/mol
LogP5.29
Rot. Bonds9

About 2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide;N-[(3-phenylphenyl)methyl]butan-1-amine

2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide;N-[(3-phenylphenyl)methyl]butan-1-amine (PubChem CID 143730608) has the molecular formula C26H32FN3O2 and a molecular weight of 437.56 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide;N-[(3-phenylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide;N-[(3-phenylphenyl)methyl]butan-1-amine
PubChem CID143730608
Molecular FormulaC26H32FN3O2
Molecular Weight437.56 g/mol
Exact Mass437.25
IUPAC Name2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide;N-[(3-phenylphenyl)methyl]butan-1-amine
SMILESCCCCNCc1cccc(-c2ccccc2)c1.Cc1cc(NCC(=O)NO)ccc1F
InChIInChI=1S/C17H21N.C9H11FN2O2/c1-2-3-12-18-14-15-8-7-11-17(13-15)16-9-5-4-6-10-16;1-6-4-7(2-3-8(6)10)11-5-9(13)12-14/h4-11,13,18H,2-3,12,14H2,1H3;2-4,11,14H,5H2,1H3,(H,12,13)
InChIKeyXXNRIVCSLAALRU-UHFFFAOYSA-N
XLogP5.29
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.56
LogP ≤ 55.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

butan-1-amine;2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide
CID 143730587
N-[(3-phenylphenyl)methyl]butan-1-amine
CID 143730609
N-(2,6-difluorophenyl)-2-(4-fluoro-3-methylanilino)acetamide
CID 62808904
3-[(4-fluoro-3-methylanilino)methyl]benzoic acid
CID 103249430
4-(butoxymethyl)-1-fluoro-2-methylbenzene;2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyacetamide
CID 143730619
N-[(4-fluoro-3-methylphenyl)methyl]-3-phenylpropan-1-amine
CID 60705049
N-[(3-phenylphenyl)methyl]ethanamine
CID 54178417
N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]ethanamine
CID 113324415
2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 29450858
2,2-dimethyl-4-[[3-(4-methylphenyl)phenyl]methylamino]butanoic acid
CID 122127079
2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108997018
5-[(4-fluoro-3-methylphenyl)methylamino]pentan-2-one
CID 115236437

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide;N-[(3-phenylphenyl)methyl]butan-1-amine?
The IUPAC name of 2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide;N-[(3-phenylphenyl)methyl]butan-1-amine (CID 143730608) is 2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide;N-[(3-phenylphenyl)methyl]butan-1-amine.
What is the SMILES notation for 2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide;N-[(3-phenylphenyl)methyl]butan-1-amine?
The canonical SMILES for 2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide;N-[(3-phenylphenyl)methyl]butan-1-amine is CCCCNCc1cccc(-c2ccccc2)c1.Cc1cc(NCC(=O)NO)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide;N-[(3-phenylphenyl)methyl]butan-1-amine?
The InChIKey is XXNRIVCSLAALRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N.C9H11FN2O2/c1-2-3-12-18-14-15-8-7-11-17(13-15)16-9-5-4-6-10-16;1-6-4-7(2-3-8(6)10)11-5-9(13)12-14/h4-11,13,18H,2-3,12,14H2,1H3;2-4,11,14H,5H2,1H3,(H,12,13).
What are the key properties of 2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide;N-[(3-phenylphenyl)methyl]butan-1-amine?
2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide;N-[(3-phenylphenyl)methyl]butan-1-amine has a molecular weight of 437.56 g/mol, XLogP of 5.29, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide;N-[(3-phenylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 143730608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).