4-(anilinomethyl)-N'-hydroxybenzenecarboximidamide

C14H15N3O — CID 77025269

IUPAC4-(anilinomethyl)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(CNc2ccccc2)cc1
InChIInChI=1S/C14H15N3O/c15-14(17-18)12-8-6-11(7-9-12)10-16-13-4-2-1-3-5-13/h1-9,16,18H,10H2,(H2,15,17)
InChIKeyMWKNNRXEEYFTDI-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.39
Rot. Bonds4

About 4-(anilinomethyl)-N'-hydroxybenzenecarboximidamide

4-(anilinomethyl)-N'-hydroxybenzenecarboximidamide (PubChem CID 77025269) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(anilinomethyl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(anilinomethyl)-N'-hydroxybenzenecarboximidamide
PubChem CID77025269
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name4-(anilinomethyl)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(CNc2ccccc2)cc1
InChIInChI=1S/C14H15N3O/c15-14(17-18)12-8-6-11(7-9-12)10-16-13-4-2-1-3-5-13/h1-9,16,18H,10H2,(H2,15,17)
InChIKeyMWKNNRXEEYFTDI-UHFFFAOYSA-N
XLogP2.39
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.39
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(3-bromoanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77026847
N'-hydroxy-4-[(3-propan-2-ylanilino)methyl]benzenecarboximidamide
CID 77029366
4-(anilinomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482639
4-[[(2-aminoquinolin-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 154039588
N'-hydroxybenzenecarboximidamide
CID 142861747
N'-hydroxy-4-[(1-phenylpropylamino)methyl]benzenecarboximidamide
CID 77030088
N'-hydroxy-4-[(2-phenylsulfanylethylamino)methyl]benzenecarboximidamide
CID 77026378
CID 163931246
CID 163931246
N'-hydroxybenzenecarboximidamide;pentahydrate
CID 174367022
4-[(3-chloro-2-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77029574
benzyl 2-[4-[(Z)-N'-hydroxycarbamimidoyl]anilino]acetate
CID 142097820
4-[(4-phenylphenyl)methylamino]benzenecarboximidamide
CID 142223741

Frequently Asked Questions

What is the IUPAC name of 4-(anilinomethyl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(anilinomethyl)-N'-hydroxybenzenecarboximidamide (CID 77025269) is 4-(anilinomethyl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(anilinomethyl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(anilinomethyl)-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(CNc2ccccc2)cc1.
What is the InChIKey of 4-(anilinomethyl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is MWKNNRXEEYFTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-14(17-18)12-8-6-11(7-9-12)10-16-13-4-2-1-3-5-13/h1-9,16,18H,10H2,(H2,15,17).
What are the key properties of 4-(anilinomethyl)-N'-hydroxybenzenecarboximidamide?
4-(anilinomethyl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 241.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(anilinomethyl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77025269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).