[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] hypochlorite

C14H12ClFN2O2 — CID 142259796

IUPAC[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] hypochlorite
SMILESO=C(NCc1cccc(F)c1)Nc1cccc(OCl)c1
InChIInChI=1S/C14H12ClFN2O2/c15-20-13-6-2-5-12(8-13)18-14(19)17-9-10-3-1-4-11(16)7-10/h1-8H,9H2,(H2,17,18,19)
InChIKeyHJVGSMKEIORXDM-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.68
Rot. Bonds4

About [3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] hypochlorite

[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] hypochlorite (PubChem CID 142259796) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is [3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] hypochlorite.

Molecular Properties

Compound Name[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] hypochlorite
PubChem CID142259796
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] hypochlorite
SMILESO=C(NCc1cccc(F)c1)Nc1cccc(OCl)c1
InChIInChI=1S/C14H12ClFN2O2/c15-20-13-6-2-5-12(8-13)18-14(19)17-9-10-3-1-4-11(16)7-10/h1-8H,9H2,(H2,17,18,19)
InChIKeyHJVGSMKEIORXDM-UHFFFAOYSA-N
XLogP3.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] acetate
CID 108865379
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 47192931
1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47192342
1-[(3-fluorophenyl)methyl]-3-(3-nitrophenyl)urea
CID 108898481
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
1-[(3-fluorophenyl)methyl]-3-(3-piperidin-1-ylphenyl)urea
CID 86837430
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197
1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 3444082
1-[(3-fluorophenyl)methyl]-3-(4-nitrophenyl)urea
CID 108898480
1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898468
1-[(3-fluorophenyl)methyl]-3-sulfanylurea
CID 141033956

Frequently Asked Questions

What is the IUPAC name of [3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] hypochlorite?
The IUPAC name of [3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] hypochlorite (CID 142259796) is [3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] hypochlorite.
What is the SMILES notation for [3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] hypochlorite?
The canonical SMILES for [3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] hypochlorite is O=C(NCc1cccc(F)c1)Nc1cccc(OCl)c1.
What is the InChIKey of [3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] hypochlorite?
The InChIKey is HJVGSMKEIORXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c15-20-13-6-2-5-12(8-13)18-14(19)17-9-10-3-1-4-11(16)7-10/h1-8H,9H2,(H2,17,18,19).
What are the key properties of [3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] hypochlorite?
[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] hypochlorite has a molecular weight of 294.71 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] hypochlorite is sourced from PubChem (CID 142259796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).