N-(4-chlorophenyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide

C14H18ClN3O2 — CID 76920148

IUPACN-(4-chlorophenyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
SMILESNC(=NO)C1(C(=O)Nc2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C14H18ClN3O2/c15-10-4-6-11(7-5-10)17-13(19)14(12(16)18-20)8-2-1-3-9-14/h4-7,20H,1-3,8-9H2,(H2,16,18)(H,17,19)
InChIKeyXKAZNWWGOLCCIZ-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.98
Rot. Bonds3

About N-(4-chlorophenyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide

N-(4-chlorophenyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide (PubChem CID 76920148) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
PubChem CID76920148
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-(4-chlorophenyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
SMILESNC(=NO)C1(C(=O)Nc2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C14H18ClN3O2/c15-10-4-6-11(7-5-10)17-13(19)14(12(16)18-20)8-2-1-3-9-14/h4-7,20H,1-3,8-9H2,(H2,16,18)(H,17,19)
InChIKeyXKAZNWWGOLCCIZ-UHFFFAOYSA-N
XLogP2.98
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.98
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-(4-chlorophenyl)-1-[(E)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 80590693
1-(N'-hydroxycarbamimidoyl)-N-phenylcyclohexane-1-carboxamide
CID 76919909
1-(N'-hydroxycarbamimidoyl)-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 76919403
N-(4-bromo-3-chlorophenyl)-1-[(E)-N'-hydroxycarbamimidoyl]cyclohexane-1-carboxamide
CID 107615223
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide
CID 80591266
1-[(E)-N'-hydroxycarbamimidoyl]-N-phenylcyclobutane-1-carboxamide
CID 80590428
N-(3,4-difluorophenyl)-1-[(E)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide
CID 80590768
N-(3-chlorophenyl)-1-[(E)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide
CID 80591517
N-(3-chloro-4-methoxyphenyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76919300
1-(N'-hydroxycarbamimidoyl)-N-pyrimidin-5-ylcyclohexane-1-carboxamide
CID 107589510
1-(N'-hydroxycarbamimidoyl)-N-pyrimidin-5-ylcycloheptane-1-carboxamide
CID 107589495
N-(4-chloro-3-fluorophenyl)-1-[(E)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 80597009

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide (CID 76920148) is N-(4-chlorophenyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide is NC(=NO)C1(C(=O)Nc2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of N-(4-chlorophenyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide?
The InChIKey is XKAZNWWGOLCCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c15-10-4-6-11(7-5-10)17-13(19)14(12(16)18-20)8-2-1-3-9-14/h4-7,20H,1-3,8-9H2,(H2,16,18)(H,17,19).
What are the key properties of N-(4-chlorophenyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide?
N-(4-chlorophenyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide has a molecular weight of 295.77 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 76920148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).