N-(4-chlorophenyl)-4-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]butanamide;hydroiodide

C17H26ClIN4O — CID 110990862

IUPACN-(4-chlorophenyl)-4-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]butanamide;hydroiodide
SMILESC/N=C(\NCCCC(=O)Nc1ccc(Cl)cc1)NC1CCCC1.I
InChIInChI=1S/C17H25ClN4O.HI/c1-19-17(22-14-5-2-3-6-14)20-12-4-7-16(23)21-15-10-8-13(18)9-11-15;/h8-11,14H,2-7,12H2,1H3,(H,21,23)(H2,19,20,22);1H
InChIKeySJLJADOQYPUPNA-UHFFFAOYSA-N
MW464.78 g/mol
LogP3.78
Rot. Bonds6

About N-(4-chlorophenyl)-4-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]butanamide;hydroiodide

N-(4-chlorophenyl)-4-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]butanamide;hydroiodide (PubChem CID 110990862) has the molecular formula C17H26ClIN4O and a molecular weight of 464.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]butanamide;hydroiodide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]butanamide;hydroiodide
PubChem CID110990862
Molecular FormulaC17H26ClIN4O
Molecular Weight464.78 g/mol
Exact Mass464.08
IUPAC NameN-(4-chlorophenyl)-4-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]butanamide;hydroiodide
SMILESC/N=C(\NCCCC(=O)Nc1ccc(Cl)cc1)NC1CCCC1.I
InChIInChI=1S/C17H25ClN4O.HI/c1-19-17(22-14-5-2-3-6-14)20-12-4-7-16(23)21-15-10-8-13(18)9-11-15;/h8-11,14H,2-7,12H2,1H3,(H,21,23)(H2,19,20,22);1H
InChIKeySJLJADOQYPUPNA-UHFFFAOYSA-N
XLogP3.78
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.78
LogP ≤ 53.78
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'}

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Related Compounds

N-(4-chlorophenyl)-4-[[N'-methyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]butanamide;hydroiodide
CID 111962458
N-(4-chlorophenyl)-4-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]butanamide;hydroiodide
CID 111124604
N-(4-bromophenyl)-3-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]propanamide;hydroiodide
CID 110959394
N-(4-chlorophenyl)-4-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]butanamide;hydroiodide
CID 110981118
4-[[N-[(4-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111131681
N-(4-chlorophenyl)-4-[[N-(4-ethoxybutyl)-N'-methylcarbamimidoyl]amino]butanamide
CID 111945195
4-[[N-[(4-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-cyclopropylbutanamide
CID 111131682
N-(4-chlorophenyl)-3-(cyclopentylamino)propanamide
CID 109013697
N-(4-chlorophenyl)-4-[[N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-methylcarbamimidoyl]amino]butanamide
CID 111534700
N'-(4-chlorophenyl)-N-cyclohexylpropanediamide
CID 108942605
N-[4-(4-chloroanilino)-4-oxobutyl]-2-methylpiperidine-1-carboxamide
CID 60544613
N-(4-chlorophenyl)-4-[[N-[5-(diethylamino)pentan-2-yl]-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide
CID 110998640

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]butanamide;hydroiodide?
The IUPAC name of N-(4-chlorophenyl)-4-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]butanamide;hydroiodide (CID 110990862) is N-(4-chlorophenyl)-4-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]butanamide;hydroiodide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]butanamide;hydroiodide?
The canonical SMILES for N-(4-chlorophenyl)-4-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]butanamide;hydroiodide is C/N=C(\NCCCC(=O)Nc1ccc(Cl)cc1)NC1CCCC1.I.
What is the InChIKey of N-(4-chlorophenyl)-4-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]butanamide;hydroiodide?
The InChIKey is SJLJADOQYPUPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O.HI/c1-19-17(22-14-5-2-3-6-14)20-12-4-7-16(23)21-15-10-8-13(18)9-11-15;/h8-11,14H,2-7,12H2,1H3,(H,21,23)(H2,19,20,22);1H.
What are the key properties of N-(4-chlorophenyl)-4-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]butanamide;hydroiodide?
N-(4-chlorophenyl)-4-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]butanamide;hydroiodide has a molecular weight of 464.78 g/mol, XLogP of 3.78, 6 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-cyclopentyl-N'-methylcarbamimidoyl)amino]butanamide;hydroiodide is sourced from PubChem (CID 110990862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).