N-(1-amino-1-hydroxyiminopentan-2-yl)-2-fluoro-6-methoxybenzamide

C13H18FN3O3 — CID 77069364

IUPACN-(1-amino-1-hydroxyiminopentan-2-yl)-2-fluoro-6-methoxybenzamide
SMILESCCCC(NC(=O)c1c(F)cccc1OC)C(N)=NO
InChIInChI=1S/C13H18FN3O3/c1-3-5-9(12(15)17-19)16-13(18)11-8(14)6-4-7-10(11)20-2/h4,6-7,9,19H,3,5H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyXKGMATCZJKGSLU-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.48
Rot. Bonds6

About N-(1-amino-1-hydroxyiminopentan-2-yl)-2-fluoro-6-methoxybenzamide

N-(1-amino-1-hydroxyiminopentan-2-yl)-2-fluoro-6-methoxybenzamide (PubChem CID 77069364) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopentan-2-yl)-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopentan-2-yl)-2-fluoro-6-methoxybenzamide
PubChem CID77069364
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-(1-amino-1-hydroxyiminopentan-2-yl)-2-fluoro-6-methoxybenzamide
SMILESCCCC(NC(=O)c1c(F)cccc1OC)C(N)=NO
InChIInChI=1S/C13H18FN3O3/c1-3-5-9(12(15)17-19)16-13(18)11-8(14)6-4-7-10(11)20-2/h4,6-7,9,19H,3,5H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyXKGMATCZJKGSLU-UHFFFAOYSA-N
XLogP1.48
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(1-amino-1-hydroxyiminopentan-2-yl)-2-fluoro-6-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-5-amino-2-[(2-fluoro-6-methoxybenzoyl)amino]-5-oxopentanoic acid
CID 107829710
N-(1-amino-1-hydroxyiminopentan-2-yl)-2,3,4-trifluorobenzamide
CID 79754946
N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide
CID 65434046
N-(1-amino-4,4-dimethylpentan-3-yl)-2-fluoro-6-methoxybenzamide
CID 106357024
N-(2-bromopentyl)-2-fluoro-6-methoxybenzamide
CID 113496506
N-(1-amino-1-hydroxyiminopentan-2-yl)-3-propan-2-yloxybenzamide
CID 76977889
propyl 2-fluoro-6-methoxybenzoate
CID 65433073
N-(2-amino-1-phenylethyl)-2-fluoro-6-methoxybenzamide
CID 65432150
2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-methoxybenzamide
CID 103850864
N-but-3-yn-2-yl-2-fluoro-6-methoxybenzamide
CID 114389675
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-3,5-dihydroxybenzamide
CID 107705570
(2R)-2-[(2-fluoro-6-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 79010897

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopentan-2-yl)-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopentan-2-yl)-2-fluoro-6-methoxybenzamide (CID 77069364) is N-(1-amino-1-hydroxyiminopentan-2-yl)-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopentan-2-yl)-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopentan-2-yl)-2-fluoro-6-methoxybenzamide is CCCC(NC(=O)c1c(F)cccc1OC)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminopentan-2-yl)-2-fluoro-6-methoxybenzamide?
The InChIKey is XKGMATCZJKGSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3/c1-3-5-9(12(15)17-19)16-13(18)11-8(14)6-4-7-10(11)20-2/h4,6-7,9,19H,3,5H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of N-(1-amino-1-hydroxyiminopentan-2-yl)-2-fluoro-6-methoxybenzamide?
N-(1-amino-1-hydroxyiminopentan-2-yl)-2-fluoro-6-methoxybenzamide has a molecular weight of 283.30 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopentan-2-yl)-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 77069364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).