4-fluoro-N-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]benzamide

C14H11F2N3O2 — CID 76939474

IUPAC4-fluoro-N-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]benzamide
SMILESNC(=NO)c1cc(NC(=O)c2ccc(F)cc2)ccc1F
InChIInChI=1S/C14H11F2N3O2/c15-9-3-1-8(2-4-9)14(20)18-10-5-6-12(16)11(7-10)13(17)19-21/h1-7,21H,(H2,17,19)(H,18,20)
InChIKeyPPNBGHULXDQREL-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.31
Rot. Bonds3

About 4-fluoro-N-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]benzamide

4-fluoro-N-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]benzamide (PubChem CID 76939474) has the molecular formula C14H11F2N3O2 and a molecular weight of 291.26 g/mol. Its IUPAC name is 4-fluoro-N-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]benzamide
PubChem CID76939474
Molecular FormulaC14H11F2N3O2
Molecular Weight291.26 g/mol
Exact Mass291.08
IUPAC Name4-fluoro-N-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]benzamide
SMILESNC(=NO)c1cc(NC(=O)c2ccc(F)cc2)ccc1F
InChIInChI=1S/C14H11F2N3O2/c15-9-3-1-8(2-4-9)14(20)18-10-5-6-12(16)11(7-10)13(17)19-21/h1-7,21H,(H2,17,19)(H,18,20)
InChIKeyPPNBGHULXDQREL-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-[4-fluoro-3-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridazine-4-carboxamide
CID 136905916
N-[4-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2,2-dimethylpropanamide
CID 62317574
propan-2-yl N-[4-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]carbamate
CID 62315641
2,5-dibromo-N-[4-fluoro-3-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-3-carboxamide
CID 107965169
2-ethyl-N-[4-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]butanamide
CID 55057495
4,4,4-trifluoro-N-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]butanamide
CID 77099519
3-ethyl-N-[4-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
CID 79975885
1-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]-3-propylurea
CID 76939353
N-[4-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methoxythiophene-2-carboxamide
CID 81119743
4-carbamothioyl-N-(3,4-difluorophenyl)benzamide
CID 24706077
2-fluoro-N'-hydroxy-5-(sulfamoylamino)benzenecarboximidamide
CID 114959563
N-(4-carbamothioylphenyl)-4-fluorobenzamide
CID 24710557

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]benzamide (CID 76939474) is 4-fluoro-N-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]benzamide is NC(=NO)c1cc(NC(=O)c2ccc(F)cc2)ccc1F.
What is the InChIKey of 4-fluoro-N-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]benzamide?
The InChIKey is PPNBGHULXDQREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O2/c15-9-3-1-8(2-4-9)14(20)18-10-5-6-12(16)11(7-10)13(17)19-21/h1-7,21H,(H2,17,19)(H,18,20).
What are the key properties of 4-fluoro-N-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]benzamide?
4-fluoro-N-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]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 4-fluoro-N-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]benzamide is sourced from PubChem (CID 76939474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).