1-(3,5-dichlorophenyl)-3-[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea

C15H11Cl2F3N4O3 — CID 166747484

IUPAC1-(3,5-dichlorophenyl)-3-[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea
SMILESNNC(=O)c1ccc(OC(F)(F)F)cc1NC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H11Cl2F3N4O3/c16-7-3-8(17)5-9(4-7)22-14(26)23-12-6-10(27-15(18,19)20)1-2-11(12)13(25)24-21/h1-6H,21H2,(H,24,25)(H2,22,23,26)
InChIKeyLQUNIAATLKGWGU-UHFFFAOYSA-N
MW423.18 g/mol
LogP4.14
Rot. Bonds4

About 1-(3,5-dichlorophenyl)-3-[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea

1-(3,5-dichlorophenyl)-3-[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea (PubChem CID 166747484) has the molecular formula C15H11Cl2F3N4O3 and a molecular weight of 423.18 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea
PubChem CID166747484
Molecular FormulaC15H11Cl2F3N4O3
Molecular Weight423.18 g/mol
Exact Mass422.02
IUPAC Name1-(3,5-dichlorophenyl)-3-[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea
SMILESNNC(=O)c1ccc(OC(F)(F)F)cc1NC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H11Cl2F3N4O3/c16-7-3-8(17)5-9(4-7)22-14(26)23-12-6-10(27-15(18,19)20)1-2-11(12)13(25)24-21/h1-6H,21H2,(H,24,25)(H2,22,23,26)
InChIKeyLQUNIAATLKGWGU-UHFFFAOYSA-N
XLogP4.14
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.18
LogP ≤ 54.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea
CID 166747520
2-[(3,5-dibromophenyl)carbamoylamino]-N-ethyl-4-(trifluoromethoxy)benzamide
CID 156854258
2-[(3-fluorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide
CID 156854184
1-(3,5-difluorophenyl)-3-[5-fluoro-2-(hydrazinecarbonyl)phenyl]urea
CID 156854203
2-[(3-bromophenyl)carbamoylamino]-N-(3-hydroxypropyl)-4-(trifluoromethoxy)benzamide
CID 170692568
1-[3-chloro-5-(trifluoromethoxy)phenyl]-3-(2,6-dichloro-4-pyridinyl)urea
CID 175721929
2-amino-N-(3,5-dichlorophenyl)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 22575032
1-[3-bromo-2-(hydroxymethyl)phenyl]-3-[3-chloro-5-(trifluoromethoxy)phenyl]urea
CID 166747576
1-(3-chlorophenyl)-3-[2-(hydrazinecarbonyl)phenyl]urea
CID 156854116
4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-methylbenzamide
CID 156854289
1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 71568254
4-bromo-2-[(3,5-dichlorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide
CID 166747514

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea (CID 166747484) is 1-(3,5-dichlorophenyl)-3-[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea is NNC(=O)c1ccc(OC(F)(F)F)cc1NC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea?
The InChIKey is LQUNIAATLKGWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3N4O3/c16-7-3-8(17)5-9(4-7)22-14(26)23-12-6-10(27-15(18,19)20)1-2-11(12)13(25)24-21/h1-6H,21H2,(H,24,25)(H2,22,23,26).
What are the key properties of 1-(3,5-dichlorophenyl)-3-[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea?
1-(3,5-dichlorophenyl)-3-[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea has a molecular weight of 423.18 g/mol, XLogP of 4.14, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 166747484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).