N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-fluoro-2-hydroxybenzamide

C13H18FN3O3 — CID 107016221

IUPACN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-fluoro-2-hydroxybenzamide
SMILESCCN(CC(C)/C(N)=N/O)C(=O)c1ccc(F)cc1O
InChIInChI=1S/C13H18FN3O3/c1-3-17(7-8(2)12(15)16-20)13(19)10-5-4-9(14)6-11(10)18/h4-6,8,18,20H,3,7H2,1-2H3,(H2,15,16)
InChIKeyCHQDJPGPXJIKCI-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.38
Rot. Bonds5

About N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-fluoro-2-hydroxybenzamide

N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-fluoro-2-hydroxybenzamide (PubChem CID 107016221) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-fluoro-2-hydroxybenzamide
PubChem CID107016221
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-fluoro-2-hydroxybenzamide
SMILESCCN(CC(C)/C(N)=N/O)C(=O)c1ccc(F)cc1O
InChIInChI=1S/C13H18FN3O3/c1-3-17(7-8(2)12(15)16-20)13(19)10-5-4-9(14)6-11(10)18/h4-6,8,18,20H,3,7H2,1-2H3,(H2,15,16)
InChIKeyCHQDJPGPXJIKCI-UHFFFAOYSA-N
XLogP1.38
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.38
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'}

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Related Compounds

N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2,4,6-trifluorobenzamide
CID 77056008
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2,4-dibromo-N-ethylbenzamide
CID 107940516
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-chloro-N-ethyl-3-fluorobenzamide
CID 81462148
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2,6-difluorobenzamide
CID 76910656
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,5-dihydroxybenzamide
CID 107705588
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3-hydroxybenzamide
CID 54987785
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-chloro-N-ethyl-4-fluorobenzamide
CID 54987417
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethylthiophene-2-carboxamide
CID 54987293
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-4-methoxybenzamide
CID 76910706
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(dimethylamino)-N-ethylbenzamide
CID 76910771
N-(3-amino-2-methylpropyl)-N-ethyl-2,4-difluorobenzamide
CID 54987846
N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-hydroxybenzamide
CID 107399082

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-fluoro-2-hydroxybenzamide (CID 107016221) is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-fluoro-2-hydroxybenzamide is CCN(CC(C)/C(N)=N/O)C(=O)c1ccc(F)cc1O.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-fluoro-2-hydroxybenzamide?
The InChIKey is CHQDJPGPXJIKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3/c1-3-17(7-8(2)12(15)16-20)13(19)10-5-4-9(14)6-11(10)18/h4-6,8,18,20H,3,7H2,1-2H3,(H2,15,16).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-fluoro-2-hydroxybenzamide?
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-fluoro-2-hydroxybenzamide has a molecular weight of 283.30 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 107016221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).