3-chloro-4-[(N,2-dimethylanilino)methyl]-N'-hydroxybenzenecarboximidamide

C16H18ClN3O — CID 102666909

IUPAC3-chloro-4-[(N,2-dimethylanilino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCc1ccccc1N(C)Cc1ccc(/C(N)=N/O)cc1Cl
InChIInChI=1S/C16H18ClN3O/c1-11-5-3-4-6-15(11)20(2)10-13-8-7-12(9-14(13)17)16(18)19-21/h3-9,21H,10H2,1-2H3,(H2,18,19)
InChIKeyYKVWCIDYZWOEJS-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.38
Rot. Bonds4

About 3-chloro-4-[(N,2-dimethylanilino)methyl]-N'-hydroxybenzenecarboximidamide

3-chloro-4-[(N,2-dimethylanilino)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 102666909) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 3-chloro-4-[(N,2-dimethylanilino)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-[(N,2-dimethylanilino)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID102666909
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name3-chloro-4-[(N,2-dimethylanilino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCc1ccccc1N(C)Cc1ccc(/C(N)=N/O)cc1Cl
InChIInChI=1S/C16H18ClN3O/c1-11-5-3-4-6-15(11)20(2)10-13-8-7-12(9-14(13)17)16(18)19-21/h3-9,21H,10H2,1-2H3,(H2,18,19)
InChIKeyYKVWCIDYZWOEJS-UHFFFAOYSA-N
XLogP3.38
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.38
H-Bond Donors ≤ 52
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

3-chloro-4-[(dimethylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 102666795
4-[(2-chloro-4-methylphenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 106863831
3-chloro-4-[(N,2,4-trimethylanilino)methyl]benzenecarbothioamide
CID 102666208
3-chloro-N'-hydroxy-4-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide
CID 76984402
N'-hydroxy-3-methyl-4-[methyl(2-methylpropyl)amino]benzenecarboximidamide
CID 54934017
methyl 2-[2-chloro-4-(N'-hydroxycarbamimidoyl)phenyl]acetate
CID 86683498
2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114346077
6-[(2-chlorophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
CID 76903791
3-chloro-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102666897
2-[(2-chloro-4-methylphenyl)methyl-methylamino]benzenecarbothioamide
CID 106863542
2-[(2,3-dichlorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 107306598
3-chloro-4-[[cyclopropyl(propyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102666807

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(N,2-dimethylanilino)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-chloro-4-[(N,2-dimethylanilino)methyl]-N'-hydroxybenzenecarboximidamide (CID 102666909) is 3-chloro-4-[(N,2-dimethylanilino)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-[(N,2-dimethylanilino)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-chloro-4-[(N,2-dimethylanilino)methyl]-N'-hydroxybenzenecarboximidamide is Cc1ccccc1N(C)Cc1ccc(/C(N)=N/O)cc1Cl.
What is the InChIKey of 3-chloro-4-[(N,2-dimethylanilino)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is YKVWCIDYZWOEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11-5-3-4-6-15(11)20(2)10-13-8-7-12(9-14(13)17)16(18)19-21/h3-9,21H,10H2,1-2H3,(H2,18,19).
What are the key properties of 3-chloro-4-[(N,2-dimethylanilino)methyl]-N'-hydroxybenzenecarboximidamide?
3-chloro-4-[(N,2-dimethylanilino)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 303.79 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(N,2-dimethylanilino)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 102666909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).