[4-[(3-fluorophenyl)methylamino]phenyl]urea

C14H14FN3O — CID 43744874

IUPAC[4-[(3-fluorophenyl)methylamino]phenyl]urea
SMILESNC(=O)Nc1ccc(NCc2cccc(F)c2)cc1
InChIInChI=1S/C14H14FN3O/c15-11-3-1-2-10(8-11)9-17-12-4-6-13(7-5-12)18-14(16)19/h1-8,17H,9H2,(H3,16,18,19)
InChIKeyVAIUSAYCBKPQJM-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.93
Rot. Bonds4

About [4-[(3-fluorophenyl)methylamino]phenyl]urea

[4-[(3-fluorophenyl)methylamino]phenyl]urea (PubChem CID 43744874) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methylamino]phenyl]urea.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methylamino]phenyl]urea
PubChem CID43744874
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name[4-[(3-fluorophenyl)methylamino]phenyl]urea
SMILESNC(=O)Nc1ccc(NCc2cccc(F)c2)cc1
InChIInChI=1S/C14H14FN3O/c15-11-3-1-2-10(8-11)9-17-12-4-6-13(7-5-12)18-14(16)19/h1-8,17H,9H2,(H3,16,18,19)
InChIKeyVAIUSAYCBKPQJM-UHFFFAOYSA-N
XLogP2.93
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(3-fluorophenyl)methylamino]phenyl]-3-methylurea
CID 43744329
[4-[(3-methylphenyl)methylamino]phenyl]urea
CID 43744878
[4-(benzylamino)phenyl]urea
CID 43744943
[4-[(3,4-difluorophenyl)methylamino]phenyl]urea
CID 43744882
2-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxypropanamide
CID 141192165
N-[(3-fluorophenyl)methyl]-4-methylaniline
CID 23255338
[3-[(3-chloro-5-fluorophenyl)methylamino]phenyl]urea
CID 114452582
N-[(3-fluorophenyl)methyl]-4-propylaniline
CID 29045443
3-[(3-fluorophenyl)methylamino]-2,2-dimethylpropanamide
CID 115582738
2-chloro-4-[(3-fluorophenyl)methylamino]benzoic acid
CID 55152051
[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744908
2-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]-2-phenylacetamide;methanesulfonic acid
CID 87877252

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)methylamino]phenyl]urea?
The IUPAC name of [4-[(3-fluorophenyl)methylamino]phenyl]urea (CID 43744874) is [4-[(3-fluorophenyl)methylamino]phenyl]urea.
What is the SMILES notation for [4-[(3-fluorophenyl)methylamino]phenyl]urea?
The canonical SMILES for [4-[(3-fluorophenyl)methylamino]phenyl]urea is NC(=O)Nc1ccc(NCc2cccc(F)c2)cc1.
What is the InChIKey of [4-[(3-fluorophenyl)methylamino]phenyl]urea?
The InChIKey is VAIUSAYCBKPQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-11-3-1-2-10(8-11)9-17-12-4-6-13(7-5-12)18-14(16)19/h1-8,17H,9H2,(H3,16,18,19).
What are the key properties of [4-[(3-fluorophenyl)methylamino]phenyl]urea?
[4-[(3-fluorophenyl)methylamino]phenyl]urea has a molecular weight of 259.28 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)methylamino]phenyl]urea is sourced from PubChem (CID 43744874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).