N-(2,4-difluorophenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide

C14H11F2N3O2 — CID 43156113

IUPACN-(2,4-difluorophenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
SMILESN/C(=N\O)c1cccc(C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C14H11F2N3O2/c15-10-4-5-12(11(16)7-10)18-14(20)9-3-1-2-8(6-9)13(17)19-21/h1-7,21H,(H2,17,19)(H,18,20)
InChIKeyGPHGCSRFAAXNSE-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.31
Rot. Bonds3

About N-(2,4-difluorophenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide

N-(2,4-difluorophenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide (PubChem CID 43156113) has the molecular formula C14H11F2N3O2 and a molecular weight of 291.26 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
PubChem CID43156113
Molecular FormulaC14H11F2N3O2
Molecular Weight291.26 g/mol
Exact Mass291.08
IUPAC NameN-(2,4-difluorophenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
SMILESN/C(=N\O)c1cccc(C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C14H11F2N3O2/c15-10-4-5-12(11(16)7-10)18-14(20)9-3-1-2-8(6-9)13(17)19-21/h1-7,21H,(H2,17,19)(H,18,20)
InChIKeyGPHGCSRFAAXNSE-UHFFFAOYSA-N
XLogP2.31
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.31
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-bromo-4-fluorophenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333248
N-(2-bromo-5-fluorophenyl)-3-[(E)-N'-hydroxycarbamimidoyl]benzamide
CID 107637415
3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057757
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
1-N-(2-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057784
3-N-cyclopentyl-1-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109051946
3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-iodophenyl)benzamide
CID 43332947
N-(2-chloro-5-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 107637344
N-(3-bromo-2-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 107637308
1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057785
1-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054492
N-(2,4-difluorophenyl)-2,6-difluorobenzamide
CID 2796874

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide (CID 43156113) is N-(2,4-difluorophenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide is N/C(=N\O)c1cccc(C(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The InChIKey is GPHGCSRFAAXNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O2/c15-10-4-5-12(11(16)7-10)18-14(20)9-3-1-2-8(6-9)13(17)19-21/h1-7,21H,(H2,17,19)(H,18,20).
What are the key properties of N-(2,4-difluorophenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
N-(2,4-difluorophenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide has a molecular weight of 291.26 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide is sourced from PubChem (CID 43156113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).