2-(3-chloro-4-methylanilino)-N'-hydroxypropanimidamide

C10H14ClN3O — CID 77027050

IUPAC2-(3-chloro-4-methylanilino)-N'-hydroxypropanimidamide
SMILESCc1ccc(NC(C)C(N)=NO)cc1Cl
InChIInChI=1S/C10H14ClN3O/c1-6-3-4-8(5-9(6)11)13-7(2)10(12)14-15/h3-5,7,13,15H,1-2H3,(H2,12,14)
InChIKeyHZGKKLOYDGJZTL-UHFFFAOYSA-N
MW227.70 g/mol
LogP2.20
Rot. Bonds3

About 2-(3-chloro-4-methylanilino)-N'-hydroxypropanimidamide

2-(3-chloro-4-methylanilino)-N'-hydroxypropanimidamide (PubChem CID 77027050) has the molecular formula C10H14ClN3O and a molecular weight of 227.70 g/mol. Its IUPAC name is 2-(3-chloro-4-methylanilino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylanilino)-N'-hydroxypropanimidamide
PubChem CID77027050
Molecular FormulaC10H14ClN3O
Molecular Weight227.70 g/mol
Exact Mass227.08
IUPAC Name2-(3-chloro-4-methylanilino)-N'-hydroxypropanimidamide
SMILESCc1ccc(NC(C)C(N)=NO)cc1Cl
InChIInChI=1S/C10H14ClN3O/c1-6-3-4-8(5-9(6)11)13-7(2)10(12)14-15/h3-5,7,13,15H,1-2H3,(H2,12,14)
InChIKeyHZGKKLOYDGJZTL-UHFFFAOYSA-N
XLogP2.20
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 52.20
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'}

Analyze 2-(3-chloro-4-methylanilino)-N'-hydroxypropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-4-methylanilino)-N-propylpropanamide
CID 43086867
2-(4-bromo-3-methoxyanilino)-N'-hydroxypropanimidamide
CID 82867913
3-chloro-4-methyl-N-(2-methyl-1-phenylpropyl)aniline
CID 43757448
N-butyl-2-(3-chloro-4-methylanilino)propanamide
CID 43112915
(2R)-2-(3,4-dichloroanilino)propanoate
CID 7855671
methyl 2-[(3-chloro-4-methylphenyl)carbamoylamino]propanoate
CID 3416421
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-chloro-4-methylbenzamide
CID 76988296
N-(3-chloro-4-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333029
2-amino-N-(3-chloro-4-methylphenyl)propanamide
CID 24694047
1-(3-amino-3-hydroxyiminopropyl)-3-(3-chloro-4-methylphenyl)-1-propan-2-ylurea
CID 76911557
methyl 2-[2-(3,4-dichloroanilino)propanoylamino]propanoate
CID 18380258
3-(3-chloro-4-methylanilino)butanenitrile
CID 60913639

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylanilino)-N'-hydroxypropanimidamide?
The IUPAC name of 2-(3-chloro-4-methylanilino)-N'-hydroxypropanimidamide (CID 77027050) is 2-(3-chloro-4-methylanilino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-(3-chloro-4-methylanilino)-N'-hydroxypropanimidamide?
The canonical SMILES for 2-(3-chloro-4-methylanilino)-N'-hydroxypropanimidamide is Cc1ccc(NC(C)C(N)=NO)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylanilino)-N'-hydroxypropanimidamide?
The InChIKey is HZGKKLOYDGJZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-6-3-4-8(5-9(6)11)13-7(2)10(12)14-15/h3-5,7,13,15H,1-2H3,(H2,12,14).
What are the key properties of 2-(3-chloro-4-methylanilino)-N'-hydroxypropanimidamide?
2-(3-chloro-4-methylanilino)-N'-hydroxypropanimidamide has a molecular weight of 227.70 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylanilino)-N'-hydroxypropanimidamide is sourced from PubChem (CID 77027050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).