1-(2-chlorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea

C17H12ClFN4O2 — CID 71799863

IUPAC1-(2-chlorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
SMILESO=C(Nc1cnc(Oc2ccccc2F)nc1)Nc1ccccc1Cl
InChIInChI=1S/C17H12ClFN4O2/c18-12-5-1-3-7-14(12)23-16(24)22-11-9-20-17(21-10-11)25-15-8-4-2-6-13(15)19/h1-10H,(H2,22,23,24)
InChIKeyMBHUHHGCKXPCAR-UHFFFAOYSA-N
MW358.76 g/mol
LogP4.71
Rot. Bonds4

About 1-(2-chlorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea

1-(2-chlorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea (PubChem CID 71799863) has the molecular formula C17H12ClFN4O2 and a molecular weight of 358.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
PubChem CID71799863
Molecular FormulaC17H12ClFN4O2
Molecular Weight358.76 g/mol
Exact Mass358.06
IUPAC Name1-(2-chlorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
SMILESO=C(Nc1cnc(Oc2ccccc2F)nc1)Nc1ccccc1Cl
InChIInChI=1S/C17H12ClFN4O2/c18-12-5-1-3-7-14(12)23-16(24)22-11-9-20-17(21-10-11)25-15-8-4-2-6-13(15)19/h1-10H,(H2,22,23,24)
InChIKeyMBHUHHGCKXPCAR-UHFFFAOYSA-N
XLogP4.71
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.76
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea
CID 71799859
1-(3,5-difluorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 122302932
1-(4-tert-butylphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 122303193
2-(2-chloro-6-fluorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]acetamide
CID 122303113
1-(3,4-dimethoxyphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 122303190
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]pyridine-4-carboxamide
CID 91968386
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-iodobenzamide
CID 122303200
4-acetyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide
CID 122303112
1-(2,6-difluorophenyl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 122302313
3-(2-chlorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122303196
(E)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(2-fluorophenyl)prop-2-enamide
CID 122303106
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-methoxypyridine-3-carboxamide
CID 122303080

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea (CID 71799863) is 1-(2-chlorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea is O=C(Nc1cnc(Oc2ccccc2F)nc1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea?
The InChIKey is MBHUHHGCKXPCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O2/c18-12-5-1-3-7-14(12)23-16(24)22-11-9-20-17(21-10-11)25-15-8-4-2-6-13(15)19/h1-10H,(H2,22,23,24).
What are the key properties of 1-(2-chlorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea?
1-(2-chlorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea has a molecular weight of 358.76 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea is sourced from PubChem (CID 71799863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).