[4-[(3,4-difluorophenyl)methylamino]phenyl]urea

C14H13F2N3O — CID 43744882

IUPAC[4-[(3,4-difluorophenyl)methylamino]phenyl]urea
SMILESNC(=O)Nc1ccc(NCc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C14H13F2N3O/c15-12-6-1-9(7-13(12)16)8-18-10-2-4-11(5-3-10)19-14(17)20/h1-7,18H,8H2,(H3,17,19,20)
InChIKeyLUQBBIZLMMHFCU-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.07
Rot. Bonds4

About [4-[(3,4-difluorophenyl)methylamino]phenyl]urea

[4-[(3,4-difluorophenyl)methylamino]phenyl]urea (PubChem CID 43744882) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is [4-[(3,4-difluorophenyl)methylamino]phenyl]urea.

Molecular Properties

Compound Name[4-[(3,4-difluorophenyl)methylamino]phenyl]urea
PubChem CID43744882
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name[4-[(3,4-difluorophenyl)methylamino]phenyl]urea
SMILESNC(=O)Nc1ccc(NCc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C14H13F2N3O/c15-12-6-1-9(7-13(12)16)8-18-10-2-4-11(5-3-10)19-14(17)20/h1-7,18H,8H2,(H3,17,19,20)
InChIKeyLUQBBIZLMMHFCU-UHFFFAOYSA-N
XLogP3.07
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(3-fluorophenyl)methylamino]phenyl]urea
CID 43744874
[4-(benzylamino)phenyl]urea
CID 43744943
[4-[(3-methylphenyl)methylamino]phenyl]urea
CID 43744878
5-N-[(3,4-difluorophenyl)methyl]pyridine-2,5-diamine
CID 54965666
4-[(3,4-difluorophenyl)methylcarbamothioylamino]benzamide
CID 18416438
[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744908
N-[(3,4-difluorophenyl)methyl]-4-nitroaniline
CID 43425353
5-[(3,4-difluorophenyl)methylamino]pyridine-2-carboxylic acid
CID 115490715
4-butan-2-yl-N-[(3,4-difluorophenyl)methyl]aniline
CID 43230078
3-bromo-N-[(3,4-difluorophenyl)methyl]-4-fluoroaniline
CID 115650344
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline
CID 43721394
3,4-difluoro-N-[4-[(4-methoxyphenyl)methylamino]phenyl]benzamide
CID 112982736

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-difluorophenyl)methylamino]phenyl]urea?
The IUPAC name of [4-[(3,4-difluorophenyl)methylamino]phenyl]urea (CID 43744882) is [4-[(3,4-difluorophenyl)methylamino]phenyl]urea.
What is the SMILES notation for [4-[(3,4-difluorophenyl)methylamino]phenyl]urea?
The canonical SMILES for [4-[(3,4-difluorophenyl)methylamino]phenyl]urea is NC(=O)Nc1ccc(NCc2ccc(F)c(F)c2)cc1.
What is the InChIKey of [4-[(3,4-difluorophenyl)methylamino]phenyl]urea?
The InChIKey is LUQBBIZLMMHFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c15-12-6-1-9(7-13(12)16)8-18-10-2-4-11(5-3-10)19-14(17)20/h1-7,18H,8H2,(H3,17,19,20).
What are the key properties of [4-[(3,4-difluorophenyl)methylamino]phenyl]urea?
[4-[(3,4-difluorophenyl)methylamino]phenyl]urea has a molecular weight of 277.27 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-difluorophenyl)methylamino]phenyl]urea is sourced from PubChem (CID 43744882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).