N-(2,6-dichloro-3-methylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide

C13H17Cl2N3O2 — CID 76924711

IUPACN-(2,6-dichloro-3-methylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
SMILESCCCC(C(=O)Nc1c(Cl)ccc(C)c1Cl)C(N)=NO
InChIInChI=1S/C13H17Cl2N3O2/c1-3-4-8(12(16)18-20)13(19)17-11-9(14)6-5-7(2)10(11)15/h5-6,8,20H,3-4H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyPPPUCMHEEGRZPJ-UHFFFAOYSA-N
MW318.20 g/mol
LogP3.40
Rot. Bonds5

About N-(2,6-dichloro-3-methylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide

N-(2,6-dichloro-3-methylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide (PubChem CID 76924711) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
PubChem CID76924711
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
SMILESCCCC(C(=O)Nc1c(Cl)ccc(C)c1Cl)C(N)=NO
InChIInChI=1S/C13H17Cl2N3O2/c1-3-4-8(12(16)18-20)13(19)17-11-9(14)6-5-7(2)10(11)15/h5-6,8,20H,3-4H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyPPPUCMHEEGRZPJ-UHFFFAOYSA-N
XLogP3.40
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 53.40
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

N-(2,3-dichlorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76925185
N-(4-acetamidophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926369
(3Z)-3-amino-N-(2,6-dichloro-3-methylphenyl)-3-hydroxyiminopropanamide
CID 43156022
N-(3-chlorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926784
N-(4-fluoro-2-methylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76925914
N-(4-chloro-2-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926139
N-(2-ethylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76924737
N-(2,6-dichloro-3-methylphenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76919299
2-(N'-hydroxycarbamimidoyl)-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 76924719
2-(N'-hydroxycarbamimidoyl)-N-[(2-methylphenyl)methyl]pentanamide
CID 76925362
N-[2-(dimethylamino)phenyl]-2-[(Z)-N'-hydroxycarbamimidoyl]pentanamide
CID 106760589
2-amino-N-(2,6-dichloro-3-methylphenyl)-2-ethylbutanamide
CID 79809129

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide (CID 76924711) is N-(2,6-dichloro-3-methylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide is CCCC(C(=O)Nc1c(Cl)ccc(C)c1Cl)C(N)=NO.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide?
The InChIKey is PPPUCMHEEGRZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2/c1-3-4-8(12(16)18-20)13(19)17-11-9(14)6-5-7(2)10(11)15/h5-6,8,20H,3-4H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide?
N-(2,6-dichloro-3-methylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide has a molecular weight of 318.20 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide is sourced from PubChem (CID 76924711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).