3-(2-chloro-6-methylanilino)-N'-hydroxy-3-phenylpropanimidamide

C16H18ClN3O — CID 77120050

IUPAC3-(2-chloro-6-methylanilino)-N'-hydroxy-3-phenylpropanimidamide
SMILESCc1cccc(Cl)c1NC(CC(N)=NO)c1ccccc1
InChIInChI=1S/C16H18ClN3O/c1-11-6-5-9-13(17)16(11)19-14(10-15(18)20-21)12-7-3-2-4-8-12/h2-9,14,19,21H,10H2,1H3,(H2,18,20)
InChIKeyGXXOUSYMFAFDJZ-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.94
Rot. Bonds5

About 3-(2-chloro-6-methylanilino)-N'-hydroxy-3-phenylpropanimidamide

3-(2-chloro-6-methylanilino)-N'-hydroxy-3-phenylpropanimidamide (PubChem CID 77120050) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 3-(2-chloro-6-methylanilino)-N'-hydroxy-3-phenylpropanimidamide.

Molecular Properties

Compound Name3-(2-chloro-6-methylanilino)-N'-hydroxy-3-phenylpropanimidamide
PubChem CID77120050
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name3-(2-chloro-6-methylanilino)-N'-hydroxy-3-phenylpropanimidamide
SMILESCc1cccc(Cl)c1NC(CC(N)=NO)c1ccccc1
InChIInChI=1S/C16H18ClN3O/c1-11-6-5-9-13(17)16(11)19-14(10-15(18)20-21)12-7-3-2-4-8-12/h2-9,14,19,21H,10H2,1H3,(H2,18,20)
InChIKeyGXXOUSYMFAFDJZ-UHFFFAOYSA-N
XLogP3.94
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.94
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

3-(2-chloro-4-iodoanilino)-N'-hydroxy-3-phenylpropanimidamide
CID 107606984
N'-hydroxy-3-phenyl-3-(propan-2-ylamino)propanimidamide
CID 77026633
3-(4-bromoanilino)-N'-hydroxy-3-phenylpropanimidamide
CID 77026727
3-(3-chloro-5-fluoroanilino)-N'-hydroxy-3-phenylpropanimidamide
CID 107366782
N'-hydroxy-3-(3-hydroxybutylamino)-3-phenylpropanimidamide
CID 77050252
N'-hydroxy-3-(pent-4-ynylamino)-3-phenylpropanimidamide
CID 106222316
N'-hydroxy-3-(oxan-4-ylamino)-3-phenylpropanimidamide
CID 77028831
N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide
CID 107317928
2-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]-N-tert-butylacetamide
CID 115356452
2-(2-chloro-6-methylanilino)propanamide
CID 66252713
3-(benzhydrylamino)-N'-hydroxybutanimidamide
CID 77028150
3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide
CID 77029618

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-methylanilino)-N'-hydroxy-3-phenylpropanimidamide?
The IUPAC name of 3-(2-chloro-6-methylanilino)-N'-hydroxy-3-phenylpropanimidamide (CID 77120050) is 3-(2-chloro-6-methylanilino)-N'-hydroxy-3-phenylpropanimidamide.
What is the SMILES notation for 3-(2-chloro-6-methylanilino)-N'-hydroxy-3-phenylpropanimidamide?
The canonical SMILES for 3-(2-chloro-6-methylanilino)-N'-hydroxy-3-phenylpropanimidamide is Cc1cccc(Cl)c1NC(CC(N)=NO)c1ccccc1.
What is the InChIKey of 3-(2-chloro-6-methylanilino)-N'-hydroxy-3-phenylpropanimidamide?
The InChIKey is GXXOUSYMFAFDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11-6-5-9-13(17)16(11)19-14(10-15(18)20-21)12-7-3-2-4-8-12/h2-9,14,19,21H,10H2,1H3,(H2,18,20).
What are the key properties of 3-(2-chloro-6-methylanilino)-N'-hydroxy-3-phenylpropanimidamide?
3-(2-chloro-6-methylanilino)-N'-hydroxy-3-phenylpropanimidamide has a molecular weight of 303.79 g/mol, XLogP of 3.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-methylanilino)-N'-hydroxy-3-phenylpropanimidamide is sourced from PubChem (CID 77120050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).