3-(2-bromo-5-methoxyanilino)-N'-hydroxypropanimidamide

C10H14BrN3O2 — CID 77069982

IUPAC3-(2-bromo-5-methoxyanilino)-N'-hydroxypropanimidamide
SMILESCOc1ccc(Br)c(NCCC(N)=NO)c1
InChIInChI=1S/C10H14BrN3O2/c1-16-7-2-3-8(11)9(6-7)13-5-4-10(12)14-15/h2-3,6,13,15H,4-5H2,1H3,(H2,12,14)
InChIKeyHTKGDCGWQQXKTG-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.01
Rot. Bonds5

About 3-(2-bromo-5-methoxyanilino)-N'-hydroxypropanimidamide

3-(2-bromo-5-methoxyanilino)-N'-hydroxypropanimidamide (PubChem CID 77069982) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 3-(2-bromo-5-methoxyanilino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(2-bromo-5-methoxyanilino)-N'-hydroxypropanimidamide
PubChem CID77069982
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name3-(2-bromo-5-methoxyanilino)-N'-hydroxypropanimidamide
SMILESCOc1ccc(Br)c(NCCC(N)=NO)c1
InChIInChI=1S/C10H14BrN3O2/c1-16-7-2-3-8(11)9(6-7)13-5-4-10(12)14-15/h2-3,6,13,15H,4-5H2,1H3,(H2,12,14)
InChIKeyHTKGDCGWQQXKTG-UHFFFAOYSA-N
XLogP2.01
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.01
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

2-(2-bromo-5-methoxyanilino)-N'-hydroxyethanimidamide
CID 77069981
4-(2-bromo-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77069992
5-(2,5-dibromoanilino)-N'-hydroxypentanimidamide
CID 77032478
2-(2-bromo-5-methoxyphenyl)-N'-hydroxyethanimidamide
CID 65323662
3-(2-bromo-4-methoxyphenoxy)-N'-hydroxypropanimidamide
CID 104707785
3-(4-bromo-2,5-difluoroanilino)-N'-hydroxypropanimidamide
CID 107613140
2-(2-bromo-5-methoxyanilino)-N'-hydroxybutanimidamide
CID 77069907
tert-butyl N-[2-(2-bromo-5-methoxyanilino)ethyl]carbamate
CID 115877169
2,6-dibromo-4-[(2-bromo-5-methoxyanilino)methyl]phenol
CID 107740862
3-(5-chloro-2,4-dimethoxyanilino)-N'-hydroxypropanimidamide
CID 77025331
5-(3-bromo-5-methoxyanilino)-N'-hydroxypentanimidamide
CID 82867428
3-(2-bromo-5-methoxyanilino)-2-methylpropan-1-ol
CID 115872019

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-methoxyanilino)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(2-bromo-5-methoxyanilino)-N'-hydroxypropanimidamide (CID 77069982) is 3-(2-bromo-5-methoxyanilino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(2-bromo-5-methoxyanilino)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(2-bromo-5-methoxyanilino)-N'-hydroxypropanimidamide is COc1ccc(Br)c(NCCC(N)=NO)c1.
What is the InChIKey of 3-(2-bromo-5-methoxyanilino)-N'-hydroxypropanimidamide?
The InChIKey is HTKGDCGWQQXKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-16-7-2-3-8(11)9(6-7)13-5-4-10(12)14-15/h2-3,6,13,15H,4-5H2,1H3,(H2,12,14).
What are the key properties of 3-(2-bromo-5-methoxyanilino)-N'-hydroxypropanimidamide?
3-(2-bromo-5-methoxyanilino)-N'-hydroxypropanimidamide has a molecular weight of 288.14 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-methoxyanilino)-N'-hydroxypropanimidamide is sourced from PubChem (CID 77069982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).