N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-iodobenzamide

C11H14IN3O2 — CID 76952996

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)-3-iodobenzamide
SMILESCC(CNC(=O)c1cccc(I)c1)C(N)=NO
InChIInChI=1S/C11H14IN3O2/c1-7(10(13)15-17)6-14-11(16)8-3-2-4-9(12)5-8/h2-5,7,17H,6H2,1H3,(H2,13,15)(H,14,16)
InChIKeyGMPZGJDNIKCMQH-UHFFFAOYSA-N
MW347.16 g/mol
LogP1.40
Rot. Bonds4

About N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-iodobenzamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-iodobenzamide (PubChem CID 76952996) has the molecular formula C11H14IN3O2 and a molecular weight of 347.16 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-3-iodobenzamide
PubChem CID76952996
Molecular FormulaC11H14IN3O2
Molecular Weight347.16 g/mol
Exact Mass347.01
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-3-iodobenzamide
SMILESCC(CNC(=O)c1cccc(I)c1)C(N)=NO
InChIInChI=1S/C11H14IN3O2/c1-7(10(13)15-17)6-14-11(16)8-3-2-4-9(12)5-8/h2-5,7,17H,6H2,1H3,(H2,13,15)(H,14,16)
InChIKeyGMPZGJDNIKCMQH-UHFFFAOYSA-N
XLogP1.40
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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)-3-(trifluoromethyl)benzamide
CID 76953051
N-(2-bromopropyl)-3-iodobenzamide
CID 114308846
N-(2-amino-3-hydroxybutyl)-3-iodobenzamide
CID 64539149
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3,5-dihydroxybenzamide
CID 107705617
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-chloro-4-methylbenzamide
CID 76988296
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromobenzamide
CID 55102187
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 76953006
N-(3-amino-3-hydroxyiminopropyl)-3-iodobenzamide
CID 76952651
N-(3-amino-3-hydroxyimino-2-methylpropyl)furan-3-carboxamide
CID 76952612
N-(3-amino-3-hydroxyimino-2-methylpropyl)-5-bromothiophene-3-carboxamide
CID 107965180
N-(2-bromo-4-methylpentyl)-3-iodobenzamide
CID 107157571
N-(4-chloro-2-methylbutyl)-3-iodobenzamide
CID 114306257

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-iodobenzamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-iodobenzamide (CID 76952996) is N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-iodobenzamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-iodobenzamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-iodobenzamide is CC(CNC(=O)c1cccc(I)c1)C(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-iodobenzamide?
The InChIKey is GMPZGJDNIKCMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O2/c1-7(10(13)15-17)6-14-11(16)8-3-2-4-9(12)5-8/h2-5,7,17H,6H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-iodobenzamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-iodobenzamide has a molecular weight of 347.16 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-iodobenzamide is sourced from PubChem (CID 76952996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).