2-[(4-chloroanilino)methyl]-N'-hydroxybenzenecarboximidamide

C14H14ClN3O — CID 77026609

IUPAC2-[(4-chloroanilino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccccc1CNc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O/c15-11-5-7-12(8-6-11)17-9-10-3-1-2-4-13(10)14(16)18-19/h1-8,17,19H,9H2,(H2,16,18)
InChIKeyLFIJQVNESYTFEE-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.05
Rot. Bonds4

About 2-[(4-chloroanilino)methyl]-N'-hydroxybenzenecarboximidamide

2-[(4-chloroanilino)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 77026609) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-[(4-chloroanilino)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(4-chloroanilino)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID77026609
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name2-[(4-chloroanilino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccccc1CNc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O/c15-11-5-7-12(8-6-11)17-9-10-3-1-2-4-13(10)14(16)18-19/h1-8,17,19H,9H2,(H2,16,18)
InChIKeyLFIJQVNESYTFEE-UHFFFAOYSA-N
XLogP3.05
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.05
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

2-[(4-chloroanilino)methyl]benzamide
CID 28580780
2-[(2-chloroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77026856
2-[(4-chlorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 43185374
2-[[(3-chlorophenyl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77030304
2-[(2-bromo-6-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 107600744
3-[(4-ethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116801
2-[(4-bromo-2-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77026824
2-[(5-bromo-2,4-difluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 102854013
2-(aminomethyl)-N'-hydroxybenzenecarboximidamide
CID 22358532
N'-hydroxy-2-(propylaminomethyl)benzenecarboximidamide
CID 77028736
2-[(2,3-dihydroxypropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77113883
3-[(4-bromo-3-fluoroanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117163

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloroanilino)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(4-chloroanilino)methyl]-N'-hydroxybenzenecarboximidamide (CID 77026609) is 2-[(4-chloroanilino)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(4-chloroanilino)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(4-chloroanilino)methyl]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccccc1CNc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chloroanilino)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is LFIJQVNESYTFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-11-5-7-12(8-6-11)17-9-10-3-1-2-4-13(10)14(16)18-19/h1-8,17,19H,9H2,(H2,16,18).
What are the key properties of 2-[(4-chloroanilino)methyl]-N'-hydroxybenzenecarboximidamide?
2-[(4-chloroanilino)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 275.74 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloroanilino)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77026609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).