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

C12H16ClN3O2 — CID 107809829

IUPACN-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(/C(N)=N/O)cc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-2-3-4-11(17)15-10-6-5-8(7-9(10)13)12(14)16-18/h5-7,18H,2-4H2,1H3,(H2,14,16)(H,15,17)
InChIKeyUJSVRDGKRWWFHO-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.56
Rot. Bonds5

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

N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanamide (PubChem CID 107809829) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanamide
PubChem CID107809829
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC NameN-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(/C(N)=N/O)cc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-2-3-4-11(17)15-10-6-5-8(7-9(10)13)12(14)16-18/h5-7,18H,2-4H2,1H3,(H2,14,16)(H,15,17)
InChIKeyUJSVRDGKRWWFHO-UHFFFAOYSA-N
XLogP2.56
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.56
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]-4-methylpentanamide
CID 107809853
N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]butanamide
CID 62104147
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
N-(2-chloro-4-sulfamoylphenyl)pentanamide
CID 43134096
N-(2-chloro-4-hydroxyphenyl)nonanamide
CID 65427497
3-chloro-N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
CID 107809864
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide
CID 107809931
N-[(2,4-dichlorophenyl)carbamothioyl]pentanamide
CID 4925626
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]azepane-1-carboxamide
CID 107809995
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-iodobenzamide
CID 107809918
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cycloheptanecarboxamide
CID 107809919

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanamide?
The IUPAC name of N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanamide (CID 107809829) is N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanamide.
What is the SMILES notation for N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanamide?
The canonical SMILES for N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanamide is CCCCC(=O)Nc1ccc(/C(N)=N/O)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanamide?
The InChIKey is UJSVRDGKRWWFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-2-3-4-11(17)15-10-6-5-8(7-9(10)13)12(14)16-18/h5-7,18H,2-4H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanamide?
N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanamide has a molecular weight of 269.73 g/mol, XLogP of 2.56, 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]pentanamide is sourced from PubChem (CID 107809829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).