1-(3-aminophenyl)-3-(3,5-difluorophenyl)urea

C13H11F2N3O — CID 29042158

IUPAC1-(3-aminophenyl)-3-(3,5-difluorophenyl)urea
SMILESNc1cccc(NC(=O)Nc2cc(F)cc(F)c2)c1
InChIInChI=1S/C13H11F2N3O/c14-8-4-9(15)6-12(5-8)18-13(19)17-11-3-1-2-10(16)7-11/h1-7H,16H2,(H2,17,18,19)
InChIKeyAPDLTLYVFFHWOV-UHFFFAOYSA-N
MW263.25 g/mol
LogP3.19
Rot. Bonds2

About 1-(3-aminophenyl)-3-(3,5-difluorophenyl)urea

1-(3-aminophenyl)-3-(3,5-difluorophenyl)urea (PubChem CID 29042158) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3-(3,5-difluorophenyl)urea.

Molecular Properties

Compound Name1-(3-aminophenyl)-3-(3,5-difluorophenyl)urea
PubChem CID29042158
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name1-(3-aminophenyl)-3-(3,5-difluorophenyl)urea
SMILESNc1cccc(NC(=O)Nc2cc(F)cc(F)c2)c1
InChIInChI=1S/C13H11F2N3O/c14-8-4-9(15)6-12(5-8)18-13(19)17-11-3-1-2-10(16)7-11/h1-7H,16H2,(H2,17,18,19)
InChIKeyAPDLTLYVFFHWOV-UHFFFAOYSA-N
XLogP3.19
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenyl)-3-(3-chloro-5-fluorophenyl)urea
CID 107367193
1-(3-aminophenyl)-3-(4-bromo-2-fluorophenyl)urea
CID 29283371
N-[(3-aminophenyl)carbamoyl]acetamide
CID 86767324
1-(3-amino-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 54910981
1-(3-aminophenyl)-3-(2-ethylphenyl)urea
CID 30050716
1-(3-amino-5-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 107334345
N-(3-aminophenyl)acetamide;hydrate;hydrochloride
CID 91872080
1-(3-aminophenyl)-3-cyclopentylurea
CID 29267368
1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea
CID 43836137
1-(5-amino-2-fluorophenyl)-3-(3-chlorophenyl)urea
CID 16777079
2-[(3,5-difluorophenyl)carbamoylamino]benzamide
CID 156854272
3-[(3-aminophenyl)carbamoylamino]propanamide
CID 43553830

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-3-(3,5-difluorophenyl)urea?
The IUPAC name of 1-(3-aminophenyl)-3-(3,5-difluorophenyl)urea (CID 29042158) is 1-(3-aminophenyl)-3-(3,5-difluorophenyl)urea.
What is the SMILES notation for 1-(3-aminophenyl)-3-(3,5-difluorophenyl)urea?
The canonical SMILES for 1-(3-aminophenyl)-3-(3,5-difluorophenyl)urea is Nc1cccc(NC(=O)Nc2cc(F)cc(F)c2)c1.
What is the InChIKey of 1-(3-aminophenyl)-3-(3,5-difluorophenyl)urea?
The InChIKey is APDLTLYVFFHWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c14-8-4-9(15)6-12(5-8)18-13(19)17-11-3-1-2-10(16)7-11/h1-7H,16H2,(H2,17,18,19).
What are the key properties of 1-(3-aminophenyl)-3-(3,5-difluorophenyl)urea?
1-(3-aminophenyl)-3-(3,5-difluorophenyl)urea has a molecular weight of 263.25 g/mol, XLogP of 3.19, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-3-(3,5-difluorophenyl)urea is sourced from PubChem (CID 29042158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).