N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylpentanamide

C13H18ClN3O2 — CID 107809853

IUPACN-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(/C(N)=N/O)cc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-8(2)3-6-12(18)16-11-5-4-9(7-10(11)14)13(15)17-19/h4-5,7-8,19H,3,6H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyWBNXEURBZDDTCI-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.81
Rot. Bonds5

About N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylpentanamide

N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylpentanamide (PubChem CID 107809853) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylpentanamide
PubChem CID107809853
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC NameN-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(/C(N)=N/O)cc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-8(2)3-6-12(18)16-11-5-4-9(7-10(11)14)13(15)17-19/h4-5,7-8,19H,3,6H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyWBNXEURBZDDTCI-UHFFFAOYSA-N
XLogP2.81
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.81
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-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanamide
CID 107809829
N-(4-carbamothioyl-2-chlorophenyl)-4-methylpentanamide
CID 114003499
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887
N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylbenzamide
CID 107809857
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-thiophen-3-ylacetamide
CID 107809971
5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide
CID 82683232
3-chloro-N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
CID 107809864
3-chloro-N'-hydroxy-4-(propan-2-ylsulfamoylamino)benzenecarboximidamide
CID 107810012
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide
CID 107809931
N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]butanamide
CID 62104147
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cycloheptanecarboxamide
CID 107809919
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]azepane-1-carboxamide
CID 107809995

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylpentanamide?
The IUPAC name of N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylpentanamide (CID 107809853) is N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylpentanamide.
What is the SMILES notation for N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylpentanamide?
The canonical SMILES for N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylpentanamide is CC(C)CCC(=O)Nc1ccc(/C(N)=N/O)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylpentanamide?
The InChIKey is WBNXEURBZDDTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-8(2)3-6-12(18)16-11-5-4-9(7-10(11)14)13(15)17-19/h4-5,7-8,19H,3,6H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylpentanamide?
N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylpentanamide has a molecular weight of 283.76 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylpentanamide is sourced from PubChem (CID 107809853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).