N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

C15H18ClN3O2 — CID 76932913

IUPACN-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC(=NO)c1ccc(Cl)cc1NC(=O)C1CC2CCC1C2
InChIInChI=1S/C15H18ClN3O2/c16-10-3-4-11(14(17)19-21)13(7-10)18-15(20)12-6-8-1-2-9(12)5-8/h3-4,7-9,12,21H,1-2,5-6H2,(H2,17,19)(H,18,20)
InChIKeyKANSMGSXCIYTJG-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.81
Rot. Bonds3

About N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 76932913) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID76932913
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC(=NO)c1ccc(Cl)cc1NC(=O)C1CC2CCC1C2
InChIInChI=1S/C15H18ClN3O2/c16-10-3-4-11(14(17)19-21)13(7-10)18-15(20)12-6-8-1-2-9(12)5-8/h3-4,7-9,12,21H,1-2,5-6H2,(H2,17,19)(H,18,20)
InChIKeyKANSMGSXCIYTJG-UHFFFAOYSA-N
XLogP2.81
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
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-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 76935561
N-[5-chloro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002935
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51262118
N-(2-carbamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 2853331
N-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 4069270
N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]pyrrolidine-1-carboxamide
CID 79161056
4-chloro-2-(cyclopropylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 77050486
2-(bicyclo[2.2.1]heptane-2-carbonylamino)-4-methoxybenzoic acid
CID 115411168
(1R,2R,4R)-N-(2-chloro-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98296679
ethyl N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]carbamate
CID 77050482
(1R,2S,4S)-N-(2-chloro-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 40605958
N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]-4-iodobenzamide
CID 76932675

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 76932913) is N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is NC(=NO)c1ccc(Cl)cc1NC(=O)C1CC2CCC1C2.
What is the InChIKey of N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is KANSMGSXCIYTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c16-10-3-4-11(14(17)19-21)13(7-10)18-15(20)12-6-8-1-2-9(12)5-8/h3-4,7-9,12,21H,1-2,5-6H2,(H2,17,19)(H,18,20).
What are the key properties of N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 307.78 g/mol, XLogP of 2.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 76932913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).