2-(4-bromo-3-methoxyanilino)-N'-hydroxypropanimidamide

C10H14BrN3O2 — CID 82867913

IUPAC2-(4-bromo-3-methoxyanilino)-N'-hydroxypropanimidamide
SMILESCOc1cc(NC(C)/C(N)=N/O)ccc1Br
InChIInChI=1S/C10H14BrN3O2/c1-6(10(12)14-15)13-7-3-4-8(11)9(5-7)16-2/h3-6,13,15H,1-2H3,(H2,12,14)
InChIKeyVWIQFHWCCSFVCN-UHFFFAOYSA-N
MW288.15 g/mol
LogP2.00
Rot. Bonds4

About 2-(4-bromo-3-methoxyanilino)-N'-hydroxypropanimidamide

2-(4-bromo-3-methoxyanilino)-N'-hydroxypropanimidamide (PubChem CID 82867913) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.15 g/mol. Its IUPAC name is 2-(4-bromo-3-methoxyanilino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(4-bromo-3-methoxyanilino)-N'-hydroxypropanimidamide
PubChem CID82867913
Molecular FormulaC10H14BrN3O2
Molecular Weight288.15 g/mol
Exact Mass287.03
IUPAC Name2-(4-bromo-3-methoxyanilino)-N'-hydroxypropanimidamide
SMILESCOc1cc(NC(C)/C(N)=N/O)ccc1Br
InChIInChI=1S/C10H14BrN3O2/c1-6(10(12)14-15)13-7-3-4-8(11)9(5-7)16-2/h3-6,13,15H,1-2H3,(H2,12,14)
InChIKeyVWIQFHWCCSFVCN-UHFFFAOYSA-N
XLogP2.00
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 52.00
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

3-(4-bromo-3-methoxyanilino)-N'-hydroxy-2-methylpropanimidamide
CID 82868251
2-(4-bromo-3-methoxyanilino)-N-(3-methylbutyl)propanamide
CID 82868278
1-(4-bromo-3-methoxyphenyl)-2-(2-methylpropyl)guanidine
CID 82859981
(4-bromo-3-methoxyphenyl)hydrazine
CID 54372982
2-(3-chloro-4-methylanilino)-N'-hydroxypropanimidamide
CID 77027050
4-bromo-N-[1-(furan-2-yl)ethyl]-3-methoxyaniline
CID 82857963
N-(4-bromo-3-methoxyphenyl)-3-methyl-2-sulfanylbutanamide
CID 107033761
N-(4-bromo-3-methoxyphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 82860120
ethyl 3-(4-bromo-3-methoxyanilino)butanoate
CID 82867925
4-bromo-N-heptan-4-yl-3-methoxyaniline
CID 82858432
2-anilino-N'-hydroxypropanimidamide
CID 77025272
4-bromo-N-[1-(3,5-difluorophenyl)ethyl]-3-methoxyaniline
CID 82857420

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methoxyanilino)-N'-hydroxypropanimidamide?
The IUPAC name of 2-(4-bromo-3-methoxyanilino)-N'-hydroxypropanimidamide (CID 82867913) is 2-(4-bromo-3-methoxyanilino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-(4-bromo-3-methoxyanilino)-N'-hydroxypropanimidamide?
The canonical SMILES for 2-(4-bromo-3-methoxyanilino)-N'-hydroxypropanimidamide is COc1cc(NC(C)/C(N)=N/O)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methoxyanilino)-N'-hydroxypropanimidamide?
The InChIKey is VWIQFHWCCSFVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-6(10(12)14-15)13-7-3-4-8(11)9(5-7)16-2/h3-6,13,15H,1-2H3,(H2,12,14).
What are the key properties of 2-(4-bromo-3-methoxyanilino)-N'-hydroxypropanimidamide?
2-(4-bromo-3-methoxyanilino)-N'-hydroxypropanimidamide has a molecular weight of 288.15 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methoxyanilino)-N'-hydroxypropanimidamide is sourced from PubChem (CID 82867913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).