5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]furan-2-carboxamide

C13H12ClN3O4 — CID 106689373

IUPAC5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]furan-2-carboxamide
SMILESCOc1cc(/C(N)=N/O)ccc1NC(=O)c1ccc(Cl)o1
InChIInChI=1S/C13H12ClN3O4/c1-20-10-6-7(12(15)17-19)2-3-8(10)16-13(18)9-4-5-11(14)21-9/h2-6,19H,1H3,(H2,15,17)(H,16,18)
InChIKeyFXQCFDVYBHVWSS-UHFFFAOYSA-N
MW309.71 g/mol
LogP2.29
Rot. Bonds4

About 5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]furan-2-carboxamide

5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]furan-2-carboxamide (PubChem CID 106689373) has the molecular formula C13H12ClN3O4 and a molecular weight of 309.71 g/mol. Its IUPAC name is 5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]furan-2-carboxamide
PubChem CID106689373
Molecular FormulaC13H12ClN3O4
Molecular Weight309.71 g/mol
Exact Mass309.05
IUPAC Name5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]furan-2-carboxamide
SMILESCOc1cc(/C(N)=N/O)ccc1NC(=O)c1ccc(Cl)o1
InChIInChI=1S/C13H12ClN3O4/c1-20-10-6-7(12(15)17-19)2-3-8(10)16-13(18)9-4-5-11(14)21-9/h2-6,19H,1H3,(H2,15,17)(H,16,18)
InChIKeyFXQCFDVYBHVWSS-UHFFFAOYSA-N
XLogP2.29
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.71
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-bromo-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]furan-3-carboxamide
CID 106855807
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104849872
5-chloro-N-[2-[(Z)-N'-hydroxycarbamimidoyl]-6-methoxyphenyl]furan-2-carboxamide
CID 107469649
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-2-methylpropanamide
CID 113460435
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-2-methoxyacetamide
CID 104849887
N-[2-bromo-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-5-methylfuran-2-carboxamide
CID 107790393
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-5-methyloxolane-3-carboxamide
CID 114827095
N-(2-amino-5-methoxyphenyl)-5-chlorofuran-2-carboxamide
CID 63258039
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-2-methylcyclopentane-1-carboxamide
CID 107182858
1-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-3-(oxolan-3-yl)urea
CID 104849955
4-(dimethylsulfamoylamino)-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 104849976
5-ethyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]furan-2-carboxamide
CID 79085708

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]furan-2-carboxamide (CID 106689373) is 5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]furan-2-carboxamide is COc1cc(/C(N)=N/O)ccc1NC(=O)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]furan-2-carboxamide?
The InChIKey is FXQCFDVYBHVWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O4/c1-20-10-6-7(12(15)17-19)2-3-8(10)16-13(18)9-4-5-11(14)21-9/h2-6,19H,1H3,(H2,15,17)(H,16,18).
What are the key properties of 5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]furan-2-carboxamide?
5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]furan-2-carboxamide has a molecular weight of 309.71 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 106689373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).