1-(4-fluoroanilino)-3-(2-methylphenyl)urea

C14H14FN3O — CID 1257414

IUPAC1-(4-fluoroanilino)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NNc1ccc(F)cc1
InChIInChI=1S/C14H14FN3O/c1-10-4-2-3-5-13(10)16-14(19)18-17-12-8-6-11(15)7-9-12/h2-9,17H,1H3,(H2,16,18,19)
InChIKeyTXDAVACGAVWGIV-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.28
Rot. Bonds3

About 1-(4-fluoroanilino)-3-(2-methylphenyl)urea

1-(4-fluoroanilino)-3-(2-methylphenyl)urea (PubChem CID 1257414) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 1-(4-fluoroanilino)-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-fluoroanilino)-3-(2-methylphenyl)urea
PubChem CID1257414
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name1-(4-fluoroanilino)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NNc1ccc(F)cc1
InChIInChI=1S/C14H14FN3O/c1-10-4-2-3-5-13(10)16-14(19)18-17-12-8-6-11(15)7-9-12/h2-9,17H,1H3,(H2,16,18,19)
InChIKeyTXDAVACGAVWGIV-UHFFFAOYSA-N
XLogP3.28
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

o-Tolylurea
CID 69198
o-Ditolylurea
CID 69232
Hydrazinecarboxamide, N,2-diphenyl-
CID 69299
1-Acetyl-4-(3-trifluoromethylphenyl)semicarbazide
CID 311653
Tert-butyl 2-{[(2-methylphenyl)amino]carbonyl}hydrazinecarboxylate
CID 2982163
N-{[(2-ethylphenyl)amino]carbonylamino}-3-phenylpropanamide
CID 24818633
n-(4-Fluorophenyl)-n'-(4-methylphenyl)urea
CID 16640776
1,1-Dimethyl-4-(1-naphthyl)semicarbazide
CID 226635
1-(2-Ethylphenyl)-3-phenylurea
CID 295047
N-phenyl-2-(4-toluidinocarbothioyl)hydrazinecarboxamide
CID 668308
1-(2,5-Difluorophenyl)-3-(2-ethylphenyl)urea
CID 6465020
N-(2-methylphenyl)-N'-[4-(trifluoromethyl)phenyl]urea
CID 6467850

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoroanilino)-3-(2-methylphenyl)urea?
The IUPAC name of 1-(4-fluoroanilino)-3-(2-methylphenyl)urea (CID 1257414) is 1-(4-fluoroanilino)-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-(4-fluoroanilino)-3-(2-methylphenyl)urea?
The canonical SMILES for 1-(4-fluoroanilino)-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)NNc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluoroanilino)-3-(2-methylphenyl)urea?
The InChIKey is TXDAVACGAVWGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-10-4-2-3-5-13(10)16-14(19)18-17-12-8-6-11(15)7-9-12/h2-9,17H,1H3,(H2,16,18,19).
What are the key properties of 1-(4-fluoroanilino)-3-(2-methylphenyl)urea?
1-(4-fluoroanilino)-3-(2-methylphenyl)urea has a molecular weight of 259.28 g/mol, XLogP of 3.28, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoroanilino)-3-(2-methylphenyl)urea is sourced from PubChem (CID 1257414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).