butan-1-amine;2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide

C13H22FN3O2 — CID 143730587

IUPACbutan-1-amine;2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide
SMILESCCCCN.Cc1cc(NCC(=O)NO)ccc1F
InChIInChI=1S/C9H11FN2O2.C4H11N/c1-6-4-7(2-3-8(6)10)11-5-9(13)12-14;1-2-3-4-5/h2-4,11,14H,5H2,1H3,(H,12,13);2-5H2,1H3
InChIKeyNOONDNQJFOGSRS-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.80
Rot. Bonds5

About butan-1-amine;2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide

butan-1-amine;2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide (PubChem CID 143730587) has the molecular formula C13H22FN3O2 and a molecular weight of 271.34 g/mol. Its IUPAC name is butan-1-amine;2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide.

Molecular Properties

Compound Namebutan-1-amine;2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide
PubChem CID143730587
Molecular FormulaC13H22FN3O2
Molecular Weight271.34 g/mol
Exact Mass271.17
IUPAC Namebutan-1-amine;2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide
SMILESCCCCN.Cc1cc(NCC(=O)NO)ccc1F
InChIInChI=1S/C9H11FN2O2.C4H11N/c1-6-4-7(2-3-8(6)10)11-5-9(13)12-14;1-2-3-4-5/h2-4,11,14H,5H2,1H3,(H,12,13);2-5H2,1H3
InChIKeyNOONDNQJFOGSRS-UHFFFAOYSA-N
XLogP1.80
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide;N-[(3-phenylphenyl)methyl]butan-1-amine
CID 143730608
4-(butoxymethyl)-1-fluoro-2-methylbenzene;2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyacetamide
CID 143730619
N-(2,6-difluorophenyl)-2-(4-fluoro-3-methylanilino)acetamide
CID 62808904
4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride
CID 119280533
3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride
CID 75530834
2-(4-bromo-3-fluoroanilino)-N-butylacetamide
CID 65437727
butyl 2-(3,4-difluoroanilino)acetate
CID 54917881
butyl 2-(3-bromo-4-fluoroanilino)acetate
CID 104777302
propyl N-(4-fluoro-3-methylphenyl)carbamate
CID 59576509
N-(4-fluoro-3-methylphenyl)-2-oxoacetamide
CID 115165884
N-(2,6-difluorophenyl)-2-(3,4-dimethylanilino)acetamide
CID 39395142
N-butyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 60703977

Frequently Asked Questions

What is the IUPAC name of butan-1-amine;2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide?
The IUPAC name of butan-1-amine;2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide (CID 143730587) is butan-1-amine;2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide.
What is the SMILES notation for butan-1-amine;2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide?
The canonical SMILES for butan-1-amine;2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide is CCCCN.Cc1cc(NCC(=O)NO)ccc1F.
What is the InChIKey of butan-1-amine;2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide?
The InChIKey is NOONDNQJFOGSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2.C4H11N/c1-6-4-7(2-3-8(6)10)11-5-9(13)12-14;1-2-3-4-5/h2-4,11,14H,5H2,1H3,(H,12,13);2-5H2,1H3.
What are the key properties of butan-1-amine;2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide?
butan-1-amine;2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide has a molecular weight of 271.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-amine;2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide is sourced from PubChem (CID 143730587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).