1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea

C17H19F2N3O — CID 3383505

IUPAC1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea
SMILESCCN(CC)c1ccc(NC(=O)Nc2cc(F)ccc2F)cc1
InChIInChI=1S/C17H19F2N3O/c1-3-22(4-2)14-8-6-13(7-9-14)20-17(23)21-16-11-12(18)5-10-15(16)19/h5-11H,3-4H2,1-2H3,(H2,20,21,23)
InChIKeyBPOBILFIOOLTHZ-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.45
Rot. Bonds5

About 1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea

1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea (PubChem CID 3383505) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea
PubChem CID3383505
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea
SMILESCCN(CC)c1ccc(NC(=O)Nc2cc(F)ccc2F)cc1
InChIInChI=1S/C17H19F2N3O/c1-3-22(4-2)14-8-6-13(7-9-14)20-17(23)21-16-11-12(18)5-10-15(16)19/h5-11H,3-4H2,1-2H3,(H2,20,21,23)
InChIKeyBPOBILFIOOLTHZ-UHFFFAOYSA-N
XLogP4.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(diethylamino)phenyl]-3-(2,4-difluorophenyl)urea
CID 970808
1-(3-chloro-4-fluorophenyl)-3-[4-(diethylamino)phenyl]urea
CID 108991877
N-[4-(diethylamino)phenyl]-N'-(2,4-difluorophenyl)oxamide
CID 108530640
1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108868696
3-acetamido-N-[4-(diethylamino)phenyl]-4-fluorobenzamide
CID 60564329
N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide
CID 108512632
1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000610
1-[4-(1-aminoethyl)phenyl]-3-(2,5-difluorophenyl)urea
CID 61340178
1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 23366297
1-[4-(diethylamino)-2-methylphenyl]-3-(3-fluorophenyl)urea
CID 108894002
1-(2,5-difluorophenyl)-3-(2-ethylphenyl)urea
CID 6465020
3-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)propanamide
CID 109041734

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea?
The IUPAC name of 1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea (CID 3383505) is 1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea is CCN(CC)c1ccc(NC(=O)Nc2cc(F)ccc2F)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea?
The InChIKey is BPOBILFIOOLTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c1-3-22(4-2)14-8-6-13(7-9-14)20-17(23)21-16-11-12(18)5-10-15(16)19/h5-11H,3-4H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea?
1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea has a molecular weight of 319.36 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea is sourced from PubChem (CID 3383505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).