1-(3,5-difluorophenyl)-3-[5-fluoro-2-(hydrazinecarbonyl)phenyl]urea

C14H11F3N4O2 — CID 156854203

IUPAC1-(3,5-difluorophenyl)-3-[5-fluoro-2-(hydrazinecarbonyl)phenyl]urea
SMILESNNC(=O)c1ccc(F)cc1NC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C14H11F3N4O2/c15-7-1-2-11(13(22)21-18)12(6-7)20-14(23)19-10-4-8(16)3-9(17)5-10/h1-6H,18H2,(H,21,22)(H2,19,20,23)
InChIKeyQLDKWLYNAHWYRA-UHFFFAOYSA-N
MW324.26 g/mol
LogP2.35
Rot. Bonds3

About 1-(3,5-difluorophenyl)-3-[5-fluoro-2-(hydrazinecarbonyl)phenyl]urea

1-(3,5-difluorophenyl)-3-[5-fluoro-2-(hydrazinecarbonyl)phenyl]urea (PubChem CID 156854203) has the molecular formula C14H11F3N4O2 and a molecular weight of 324.26 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-[5-fluoro-2-(hydrazinecarbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-[5-fluoro-2-(hydrazinecarbonyl)phenyl]urea
PubChem CID156854203
Molecular FormulaC14H11F3N4O2
Molecular Weight324.26 g/mol
Exact Mass324.08
IUPAC Name1-(3,5-difluorophenyl)-3-[5-fluoro-2-(hydrazinecarbonyl)phenyl]urea
SMILESNNC(=O)c1ccc(F)cc1NC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C14H11F3N4O2/c15-7-1-2-11(13(22)21-18)12(6-7)20-14(23)19-10-4-8(16)3-9(17)5-10/h1-6H,18H2,(H,21,22)(H2,19,20,23)
InChIKeyQLDKWLYNAHWYRA-UHFFFAOYSA-N
XLogP2.35
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-4-chloro-2-[(3,5-difluorophenyl)carbamoylamino]benzamide
CID 156854312
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
2-[(3,5-dibromophenyl)carbamoylamino]-4-fluoro-N-propylbenzamide
CID 156854112
4-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzamide
CID 156854097
N-(2-aminoethyl)-2-[(3,5-difluorophenyl)carbamoylamino]-4-methoxybenzamide
CID 156854286
2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide
CID 63109717
2-[(3,5-difluorophenyl)carbamoylamino]benzamide
CID 156854272
1-(3-amino-5-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 107334345
4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-methylbenzamide
CID 156854289
2-[(3,5-difluorophenyl)carbamoylamino]-N-propylbenzamide
CID 166747501
1-(3,5-dichlorophenyl)-3-[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea
CID 166747484
2-[(3,5-difluorophenyl)carbamoylamino]benzoic acid
CID 61189563

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-[5-fluoro-2-(hydrazinecarbonyl)phenyl]urea?
The IUPAC name of 1-(3,5-difluorophenyl)-3-[5-fluoro-2-(hydrazinecarbonyl)phenyl]urea (CID 156854203) is 1-(3,5-difluorophenyl)-3-[5-fluoro-2-(hydrazinecarbonyl)phenyl]urea.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-[5-fluoro-2-(hydrazinecarbonyl)phenyl]urea?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-[5-fluoro-2-(hydrazinecarbonyl)phenyl]urea is NNC(=O)c1ccc(F)cc1NC(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-[5-fluoro-2-(hydrazinecarbonyl)phenyl]urea?
The InChIKey is QLDKWLYNAHWYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O2/c15-7-1-2-11(13(22)21-18)12(6-7)20-14(23)19-10-4-8(16)3-9(17)5-10/h1-6H,18H2,(H,21,22)(H2,19,20,23).
What are the key properties of 1-(3,5-difluorophenyl)-3-[5-fluoro-2-(hydrazinecarbonyl)phenyl]urea?
1-(3,5-difluorophenyl)-3-[5-fluoro-2-(hydrazinecarbonyl)phenyl]urea has a molecular weight of 324.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-[5-fluoro-2-(hydrazinecarbonyl)phenyl]urea is sourced from PubChem (CID 156854203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).