N'-hydroxy-4-[(2-iodoanilino)methyl]-3-methylbenzenecarboximidamide

C15H16IN3O — CID 114482726

IUPACN'-hydroxy-4-[(2-iodoanilino)methyl]-3-methylbenzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)ccc1CNc1ccccc1I
InChIInChI=1S/C15H16IN3O/c1-10-8-11(15(17)19-20)6-7-12(10)9-18-14-5-3-2-4-13(14)16/h2-8,18,20H,9H2,1H3,(H2,17,19)
InChIKeyDKZQEIUYUQAUJE-UHFFFAOYSA-N
MW381.22 g/mol
LogP3.31
Rot. Bonds4

About N'-hydroxy-4-[(2-iodoanilino)methyl]-3-methylbenzenecarboximidamide

N'-hydroxy-4-[(2-iodoanilino)methyl]-3-methylbenzenecarboximidamide (PubChem CID 114482726) has the molecular formula C15H16IN3O and a molecular weight of 381.22 g/mol. Its IUPAC name is N'-hydroxy-4-[(2-iodoanilino)methyl]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(2-iodoanilino)methyl]-3-methylbenzenecarboximidamide
PubChem CID114482726
Molecular FormulaC15H16IN3O
Molecular Weight381.22 g/mol
Exact Mass381.03
IUPAC NameN'-hydroxy-4-[(2-iodoanilino)methyl]-3-methylbenzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)ccc1CNc1ccccc1I
InChIInChI=1S/C15H16IN3O/c1-10-8-11(15(17)19-20)6-7-12(10)9-18-14-5-3-2-4-13(14)16/h2-8,18,20H,9H2,1H3,(H2,17,19)
InChIKeyDKZQEIUYUQAUJE-UHFFFAOYSA-N
XLogP3.31
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 53.31
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

4-(anilinomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482639
4-[(3,4-dichloroanilino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482665
N'-hydroxy-3-methyl-4-[[[(1S)-1-phenylethyl]amino]methyl]benzenecarboximidamide
CID 104930166
3-chloro-4-[(4-chloro-2-iodoanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 107635883
N'-hydroxy-3-methyl-4-[[(1-methylpyrazol-3-yl)amino]methyl]benzenecarboximidamide
CID 114482992
N'-hydroxy-4-[(1-hydroxypropan-2-ylamino)methyl]-3-methylbenzenecarboximidamide
CID 114482743
4-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482972
N'-hydroxy-3-methyl-4-[[(1-methylpyrazol-4-yl)amino]methyl]benzenecarboximidamide
CID 114482991
4-[(cyclopentylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482642
4-[(3-bromo-2-methylanilino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107635822
N'-hydroxy-4-[(5-hydroxypentylamino)methyl]-3-methylbenzenecarboximidamide
CID 107317916
N'-hydroxy-4-[(6-hydroxyhexylamino)methyl]-3-methylbenzenecarboximidamide
CID 107853266

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(2-iodoanilino)methyl]-3-methylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[(2-iodoanilino)methyl]-3-methylbenzenecarboximidamide (CID 114482726) is N'-hydroxy-4-[(2-iodoanilino)methyl]-3-methylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(2-iodoanilino)methyl]-3-methylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[(2-iodoanilino)methyl]-3-methylbenzenecarboximidamide is Cc1cc(/C(N)=N/O)ccc1CNc1ccccc1I.
What is the InChIKey of N'-hydroxy-4-[(2-iodoanilino)methyl]-3-methylbenzenecarboximidamide?
The InChIKey is DKZQEIUYUQAUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN3O/c1-10-8-11(15(17)19-20)6-7-12(10)9-18-14-5-3-2-4-13(14)16/h2-8,18,20H,9H2,1H3,(H2,17,19).
What are the key properties of N'-hydroxy-4-[(2-iodoanilino)methyl]-3-methylbenzenecarboximidamide?
N'-hydroxy-4-[(2-iodoanilino)methyl]-3-methylbenzenecarboximidamide has a molecular weight of 381.22 g/mol, XLogP of 3.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(2-iodoanilino)methyl]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114482726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).