N-(4-chlorophenyl)-4-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]butanamide;hydroiodide

C15H22ClIN4O — CID 110981118

IUPACN-(4-chlorophenyl)-4-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]butanamide;hydroiodide
SMILESC=CCN/C(=N\C)NCCCC(=O)Nc1ccc(Cl)cc1.I
InChIInChI=1S/C15H21ClN4O.HI/c1-3-10-18-15(17-2)19-11-4-5-14(21)20-13-8-6-12(16)7-9-13;/h3,6-9H,1,4-5,10-11H2,2H3,(H,20,21)(H2,17,18,19);1H
InChIKeyYOFDTYJVXJRESE-UHFFFAOYSA-N
MW436.73 g/mol
LogP3.03
Rot. Bonds7

About N-(4-chlorophenyl)-4-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]butanamide;hydroiodide

N-(4-chlorophenyl)-4-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]butanamide;hydroiodide (PubChem CID 110981118) has the molecular formula C15H22ClIN4O and a molecular weight of 436.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]butanamide;hydroiodide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]butanamide;hydroiodide
PubChem CID110981118
Molecular FormulaC15H22ClIN4O
Molecular Weight436.73 g/mol
Exact Mass436.05
IUPAC NameN-(4-chlorophenyl)-4-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]butanamide;hydroiodide
SMILESC=CCN/C(=N\C)NCCCC(=O)Nc1ccc(Cl)cc1.I
InChIInChI=1S/C15H21ClN4O.HI/c1-3-10-18-15(17-2)19-11-4-5-14(21)20-13-8-6-12(16)7-9-13;/h3,6-9H,1,4-5,10-11H2,2H3,(H,20,21)(H2,17,18,19);1H
InChIKeyYOFDTYJVXJRESE-UHFFFAOYSA-N
XLogP3.03
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.73
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(4-chlorophenyl)-4-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]butanamide;hydroiodide 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

N-(4-chlorophenyl)-4-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]butanamide;hydroiodide
CID 111124604
N-(4-chlorophenyl)-4-[[N-(4-ethoxybutyl)-N'-methylcarbamimidoyl]amino]butanamide
CID 111945195
N-(4-chlorophenyl)-4-[[N'-methyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]butanamide;hydroiodide
CID 111962458
N-(4-chlorophenyl)-4-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]butanamide;hydroiodide
CID 110990862
N-(4-chlorophenyl)-4-[[N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]butanamide
CID 111650446
N-(4-chlorophenyl)-4-[[N-[5-(diethylamino)pentan-2-yl]-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide
CID 110998640
N-(4-chlorophenyl)-4-[[N-[(2-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]butanamide
CID 111216177
N-(4-chlorophenyl)-4-[[N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide
CID 111700020
N-(4-chlorophenyl)-4-[[N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-methylcarbamimidoyl]amino]butanamide
CID 111534700
N-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 34753669
1-[2-(4-chlorophenoxy)ethyl]-2-methyl-3-prop-2-enylguanidine
CID 110980785
1-[(4-chlorophenyl)methyl]-2-methyl-3-prop-2-enylguanidine
CID 110981419

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]butanamide;hydroiodide?
The IUPAC name of N-(4-chlorophenyl)-4-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]butanamide;hydroiodide (CID 110981118) is N-(4-chlorophenyl)-4-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]butanamide;hydroiodide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]butanamide;hydroiodide?
The canonical SMILES for N-(4-chlorophenyl)-4-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]butanamide;hydroiodide is C=CCN/C(=N\C)NCCCC(=O)Nc1ccc(Cl)cc1.I.
What is the InChIKey of N-(4-chlorophenyl)-4-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]butanamide;hydroiodide?
The InChIKey is YOFDTYJVXJRESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O.HI/c1-3-10-18-15(17-2)19-11-4-5-14(21)20-13-8-6-12(16)7-9-13;/h3,6-9H,1,4-5,10-11H2,2H3,(H,20,21)(H2,17,18,19);1H.
What are the key properties of N-(4-chlorophenyl)-4-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]butanamide;hydroiodide?
N-(4-chlorophenyl)-4-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]butanamide;hydroiodide has a molecular weight of 436.73 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]butanamide;hydroiodide is sourced from PubChem (CID 110981118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).