1-[2-fluoro-3-(phenylcarbamoylamino)phenyl]-3-phenylurea

C20H17FN4O2 — CID 2805717

IUPAC1-[2-fluoro-3-(phenylcarbamoylamino)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc(NC(=O)Nc2ccccc2)c1F
InChIInChI=1S/C20H17FN4O2/c21-18-16(24-19(26)22-14-8-3-1-4-9-14)12-7-13-17(18)25-20(27)23-15-10-5-2-6-11-15/h1-13H,(H2,22,24,26)(H2,23,25,27)
InChIKeyGOKXHKONWYTAOW-UHFFFAOYSA-N
MW364.38 g/mol
LogP5.11
Rot. Bonds4

About 1-[2-fluoro-3-(phenylcarbamoylamino)phenyl]-3-phenylurea

1-[2-fluoro-3-(phenylcarbamoylamino)phenyl]-3-phenylurea (PubChem CID 2805717) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 1-[2-fluoro-3-(phenylcarbamoylamino)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-fluoro-3-(phenylcarbamoylamino)phenyl]-3-phenylurea
PubChem CID2805717
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name1-[2-fluoro-3-(phenylcarbamoylamino)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc(NC(=O)Nc2ccccc2)c1F
InChIInChI=1S/C20H17FN4O2/c21-18-16(24-19(26)22-14-8-3-1-4-9-14)12-7-13-17(18)25-20(27)23-15-10-5-2-6-11-15/h1-13H,(H2,22,24,26)(H2,23,25,27)
InChIKeyGOKXHKONWYTAOW-UHFFFAOYSA-N
XLogP5.11
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.38
LogP ≤ 55.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-3-(phenylcarbamoylamino)phenyl]-3-phenylurea?
The IUPAC name of 1-[2-fluoro-3-(phenylcarbamoylamino)phenyl]-3-phenylurea (CID 2805717) is 1-[2-fluoro-3-(phenylcarbamoylamino)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[2-fluoro-3-(phenylcarbamoylamino)phenyl]-3-phenylurea?
The canonical SMILES for 1-[2-fluoro-3-(phenylcarbamoylamino)phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1cccc(NC(=O)Nc2ccccc2)c1F.
What is the InChIKey of 1-[2-fluoro-3-(phenylcarbamoylamino)phenyl]-3-phenylurea?
The InChIKey is GOKXHKONWYTAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c21-18-16(24-19(26)22-14-8-3-1-4-9-14)12-7-13-17(18)25-20(27)23-15-10-5-2-6-11-15/h1-13H,(H2,22,24,26)(H2,23,25,27).
What are the key properties of 1-[2-fluoro-3-(phenylcarbamoylamino)phenyl]-3-phenylurea?
1-[2-fluoro-3-(phenylcarbamoylamino)phenyl]-3-phenylurea has a molecular weight of 364.38 g/mol, XLogP of 5.11, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-3-(phenylcarbamoylamino)phenyl]-3-phenylurea is sourced from PubChem (CID 2805717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).