N-(3-amino-3-hydroxyiminopropyl)-3-iodobenzamide

C10H12IN3O2 — CID 76952651

IUPACN-(3-amino-3-hydroxyiminopropyl)-3-iodobenzamide
SMILESNC(CCNC(=O)c1cccc(I)c1)=NO
InChIInChI=1S/C10H12IN3O2/c11-8-3-1-2-7(6-8)10(15)13-5-4-9(12)14-16/h1-3,6,16H,4-5H2,(H2,12,14)(H,13,15)
InChIKeyFYMAUEVVQHQQPD-UHFFFAOYSA-N
MW333.13 g/mol
LogP1.16
Rot. Bonds4

About N-(3-amino-3-hydroxyiminopropyl)-3-iodobenzamide

N-(3-amino-3-hydroxyiminopropyl)-3-iodobenzamide (PubChem CID 76952651) has the molecular formula C10H12IN3O2 and a molecular weight of 333.13 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-3-iodobenzamide
PubChem CID76952651
Molecular FormulaC10H12IN3O2
Molecular Weight333.13 g/mol
Exact Mass333.00
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-3-iodobenzamide
SMILESNC(CCNC(=O)c1cccc(I)c1)=NO
InChIInChI=1S/C10H12IN3O2/c11-8-3-1-2-7(6-8)10(15)13-5-4-9(12)14-16/h1-3,6,16H,4-5H2,(H2,12,14)(H,13,15)
InChIKeyFYMAUEVVQHQQPD-UHFFFAOYSA-N
XLogP1.16
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.13
LogP ≤ 51.16
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-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-(dimethylamino)benzamide
CID 55102085
N-(3-aminopropyl)-3-iodobenzamide
CID 28978873
3-iodo-N-(2-sulfanylethyl)benzamide
CID 130616001
N-(2-acetamidoethyl)-3-iodobenzamide
CID 7942065
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-iodobenzamide
CID 76932775
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-iodobenzamide
CID 76952996
N-[(3E)-3-amino-3-hydroxyiminopropyl]-4-bromo-3-fluorobenzamide
CID 55102044
N-(3-amino-3-hydroxyiminopropyl)-2,3-difluorobenzamide
CID 76948110
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-3-iodobenzamide
CID 76929197
N-(3-amino-3-hydroxyiminopropyl)-3-iodo-N-(2-methylpropyl)benzamide
CID 76917368
N-(4-amino-4-hydroxyiminobutyl)-3-propan-2-yloxybenzamide
CID 76977754
N-(2-amino-2-methylpropyl)-3-iodobenzamide
CID 81482556

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-3-iodobenzamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-3-iodobenzamide (CID 76952651) is N-(3-amino-3-hydroxyiminopropyl)-3-iodobenzamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-3-iodobenzamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-3-iodobenzamide is NC(CCNC(=O)c1cccc(I)c1)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-3-iodobenzamide?
The InChIKey is FYMAUEVVQHQQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3O2/c11-8-3-1-2-7(6-8)10(15)13-5-4-9(12)14-16/h1-3,6,16H,4-5H2,(H2,12,14)(H,13,15).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-3-iodobenzamide?
N-(3-amino-3-hydroxyiminopropyl)-3-iodobenzamide has a molecular weight of 333.13 g/mol, XLogP of 1.16, 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-hydroxyiminopropyl)-3-iodobenzamide is sourced from PubChem (CID 76952651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).