4-[2-(4-chlorophenyl)ethylamino]-N'-hydroxybutanimidamide

C12H18ClN3O — CID 77032070

IUPAC4-[2-(4-chlorophenyl)ethylamino]-N'-hydroxybutanimidamide
SMILESNC(CCCNCCc1ccc(Cl)cc1)=NO
InChIInChI=1S/C12H18ClN3O/c13-11-5-3-10(4-6-11)7-9-15-8-1-2-12(14)16-17/h3-6,15,17H,1-2,7-9H2,(H2,14,16)
InChIKeyQZMKIKOWKOHHHL-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.00
Rot. Bonds7

About 4-[2-(4-chlorophenyl)ethylamino]-N'-hydroxybutanimidamide

4-[2-(4-chlorophenyl)ethylamino]-N'-hydroxybutanimidamide (PubChem CID 77032070) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)ethylamino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)ethylamino]-N'-hydroxybutanimidamide
PubChem CID77032070
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name4-[2-(4-chlorophenyl)ethylamino]-N'-hydroxybutanimidamide
SMILESNC(CCCNCCc1ccc(Cl)cc1)=NO
InChIInChI=1S/C12H18ClN3O/c13-11-5-3-10(4-6-11)7-9-15-8-1-2-12(14)16-17/h3-6,15,17H,1-2,7-9H2,(H2,14,16)
InChIKeyQZMKIKOWKOHHHL-UHFFFAOYSA-N
XLogP2.00
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-[2-(4-chlorophenyl)ethylamino]-N'-hydroxybutanimidamide 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

4-(4-chlorophenyl)-N'-hydroxybutanimidamide
CID 156545661
5-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide
CID 77025804
4-[2-(2,4-dichlorophenyl)ethylamino]-N'-hydroxybutanimidamide
CID 77025238
3-(4-chlorophenyl)-N'-hydroxypropanimidamide
CID 91810227
4-[2-(4-chlorophenyl)ethylamino]butanoic acid
CID 61380549
N'-[2-(4-chlorophenyl)ethyl]butane-1,4-diamine
CID 83961338
N,N'-bis[2-(4-chlorophenyl)ethyl]octane-1,8-diamine;dihydrobromide
CID 3029595
N,N'-bis[2-(4-chlorophenyl)ethyl]hexane-1,6-diamine;dihydrobromide
CID 3028564
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N'-hydroxypentanimidamide
CID 77025166
4-[(4-chlorophenyl)methoxy]-N'-hydroxybutanimidamide
CID 77056923
4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N'-hydroxybutanimidamide
CID 81354649
5-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77030098

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)ethylamino]-N'-hydroxybutanimidamide?
The IUPAC name of 4-[2-(4-chlorophenyl)ethylamino]-N'-hydroxybutanimidamide (CID 77032070) is 4-[2-(4-chlorophenyl)ethylamino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)ethylamino]-N'-hydroxybutanimidamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)ethylamino]-N'-hydroxybutanimidamide is NC(CCCNCCc1ccc(Cl)cc1)=NO.
What is the InChIKey of 4-[2-(4-chlorophenyl)ethylamino]-N'-hydroxybutanimidamide?
The InChIKey is QZMKIKOWKOHHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c13-11-5-3-10(4-6-11)7-9-15-8-1-2-12(14)16-17/h3-6,15,17H,1-2,7-9H2,(H2,14,16).
What are the key properties of 4-[2-(4-chlorophenyl)ethylamino]-N'-hydroxybutanimidamide?
4-[2-(4-chlorophenyl)ethylamino]-N'-hydroxybutanimidamide has a molecular weight of 255.75 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)ethylamino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 77032070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).