3-chloro-4-(N,3-dimethylanilino)-N'-hydroxybenzenecarboximidamide

C15H16ClN3O — CID 76984280

IUPAC3-chloro-4-(N,3-dimethylanilino)-N'-hydroxybenzenecarboximidamide
SMILESCc1cccc(N(C)c2ccc(C(N)=NO)cc2Cl)c1
InChIInChI=1S/C15H16ClN3O/c1-10-4-3-5-12(8-10)19(2)14-7-6-11(9-13(14)16)15(17)18-20/h3-9,20H,1-2H3,(H2,17,18)
InChIKeySNTPWWQTGVOVFZ-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.51
Rot. Bonds3

About 3-chloro-4-(N,3-dimethylanilino)-N'-hydroxybenzenecarboximidamide

3-chloro-4-(N,3-dimethylanilino)-N'-hydroxybenzenecarboximidamide (PubChem CID 76984280) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 3-chloro-4-(N,3-dimethylanilino)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-(N,3-dimethylanilino)-N'-hydroxybenzenecarboximidamide
PubChem CID76984280
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name3-chloro-4-(N,3-dimethylanilino)-N'-hydroxybenzenecarboximidamide
SMILESCc1cccc(N(C)c2ccc(C(N)=NO)cc2Cl)c1
InChIInChI=1S/C15H16ClN3O/c1-10-4-3-5-12(8-10)19(2)14-7-6-11(9-13(14)16)15(17)18-20/h3-9,20H,1-2H3,(H2,17,18)
InChIKeySNTPWWQTGVOVFZ-UHFFFAOYSA-N
XLogP3.51
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.51
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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(N,3-dimethylanilino)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-chloro-4-(N,3-dimethylanilino)-N'-hydroxybenzenecarboximidamide (CID 76984280) is 3-chloro-4-(N,3-dimethylanilino)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-(N,3-dimethylanilino)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-chloro-4-(N,3-dimethylanilino)-N'-hydroxybenzenecarboximidamide is Cc1cccc(N(C)c2ccc(C(N)=NO)cc2Cl)c1.
What is the InChIKey of 3-chloro-4-(N,3-dimethylanilino)-N'-hydroxybenzenecarboximidamide?
The InChIKey is SNTPWWQTGVOVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-10-4-3-5-12(8-10)19(2)14-7-6-11(9-13(14)16)15(17)18-20/h3-9,20H,1-2H3,(H2,17,18).
What are the key properties of 3-chloro-4-(N,3-dimethylanilino)-N'-hydroxybenzenecarboximidamide?
3-chloro-4-(N,3-dimethylanilino)-N'-hydroxybenzenecarboximidamide has a molecular weight of 289.77 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(N,3-dimethylanilino)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76984280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).