1-[3-(2-aminoethylamino)-5-fluorophenyl]-3-[2-(2-hydroxyethyl)phenyl]urea

C17H21FN4O2 — CID 156854682

IUPAC1-[3-(2-aminoethylamino)-5-fluorophenyl]-3-[2-(2-hydroxyethyl)phenyl]urea
SMILESNCCNc1cc(F)cc(NC(=O)Nc2ccccc2CCO)c1
InChIInChI=1S/C17H21FN4O2/c18-13-9-14(20-7-6-19)11-15(10-13)21-17(24)22-16-4-2-1-3-12(16)5-8-23/h1-4,9-11,20,23H,5-8,19H2,(H2,21,22,24)
InChIKeyYSZQXEFZSLDWLD-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.38
Rot. Bonds7

About 1-[3-(2-aminoethylamino)-5-fluorophenyl]-3-[2-(2-hydroxyethyl)phenyl]urea

1-[3-(2-aminoethylamino)-5-fluorophenyl]-3-[2-(2-hydroxyethyl)phenyl]urea (PubChem CID 156854682) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-[3-(2-aminoethylamino)-5-fluorophenyl]-3-[2-(2-hydroxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-(2-aminoethylamino)-5-fluorophenyl]-3-[2-(2-hydroxyethyl)phenyl]urea
PubChem CID156854682
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name1-[3-(2-aminoethylamino)-5-fluorophenyl]-3-[2-(2-hydroxyethyl)phenyl]urea
SMILESNCCNc1cc(F)cc(NC(=O)Nc2ccccc2CCO)c1
InChIInChI=1S/C17H21FN4O2/c18-13-9-14(20-7-6-19)11-15(10-13)21-17(24)22-16-4-2-1-3-12(16)5-8-23/h1-4,9-11,20,23H,5-8,19H2,(H2,21,22,24)
InChIKeyYSZQXEFZSLDWLD-UHFFFAOYSA-N
XLogP2.38
TPSA99.41 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-5-fluorophenyl)-3-[5-chloro-2-(2-hydroxyethyl)phenyl]urea
CID 166747587
1-[3-(2-aminoethylamino)-5-methoxyphenyl]-3-[5-fluoro-2-(hydroxymethyl)phenyl]urea
CID 156854477
1-[3-chloro-2-(2-hydroxyethyl)phenyl]-3-(3,5-difluorophenyl)urea
CID 156854357
2-[(3,5-difluorophenyl)carbamoylamino]benzamide
CID 156854272
1-(4-fluorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
CID 61497811
1-[3-(2-chloro-4-hydroxyphenyl)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea
CID 142259782
1-[2-(2-hydroxyethyl)phenyl]-3-[3-(4-nitrosophenyl)phenyl]urea
CID 142259775
N'-(3,5-difluorophenyl)ethane-1,2-diamine
CID 11116511
2-[(3,5-difluorophenyl)carbamoylamino]benzoic acid
CID 61189563
[4-[3-[[2-(2-hydroxyethyl)phenyl]carbamoylamino]phenyl]phenyl] thiohypochlorite
CID 142259790
2-[2-[(4-fluorophenyl)carbamoylamino]phenyl]acetamide
CID 90271537
N-(2-aminoethyl)-4-chloro-2-[(3,5-difluorophenyl)carbamoylamino]benzamide
CID 156854312

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethylamino)-5-fluorophenyl]-3-[2-(2-hydroxyethyl)phenyl]urea?
The IUPAC name of 1-[3-(2-aminoethylamino)-5-fluorophenyl]-3-[2-(2-hydroxyethyl)phenyl]urea (CID 156854682) is 1-[3-(2-aminoethylamino)-5-fluorophenyl]-3-[2-(2-hydroxyethyl)phenyl]urea.
What is the SMILES notation for 1-[3-(2-aminoethylamino)-5-fluorophenyl]-3-[2-(2-hydroxyethyl)phenyl]urea?
The canonical SMILES for 1-[3-(2-aminoethylamino)-5-fluorophenyl]-3-[2-(2-hydroxyethyl)phenyl]urea is NCCNc1cc(F)cc(NC(=O)Nc2ccccc2CCO)c1.
What is the InChIKey of 1-[3-(2-aminoethylamino)-5-fluorophenyl]-3-[2-(2-hydroxyethyl)phenyl]urea?
The InChIKey is YSZQXEFZSLDWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c18-13-9-14(20-7-6-19)11-15(10-13)21-17(24)22-16-4-2-1-3-12(16)5-8-23/h1-4,9-11,20,23H,5-8,19H2,(H2,21,22,24).
What are the key properties of 1-[3-(2-aminoethylamino)-5-fluorophenyl]-3-[2-(2-hydroxyethyl)phenyl]urea?
1-[3-(2-aminoethylamino)-5-fluorophenyl]-3-[2-(2-hydroxyethyl)phenyl]urea has a molecular weight of 332.38 g/mol, XLogP of 2.38, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethylamino)-5-fluorophenyl]-3-[2-(2-hydroxyethyl)phenyl]urea is sourced from PubChem (CID 156854682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).