N-(4-bromophenyl)-2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]acetamide

C18H14BrFN4O2 — CID 56557114

IUPACN-(4-bromophenyl)-2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]acetamide
SMILESO=C(CNc1nccc(Oc2ccc(F)cc2)n1)Nc1ccc(Br)cc1
InChIInChI=1S/C18H14BrFN4O2/c19-12-1-5-14(6-2-12)23-16(25)11-22-18-21-10-9-17(24-18)26-15-7-3-13(20)4-8-15/h1-10H,11H2,(H,23,25)(H,21,22,24)
InChIKeyJEQMMCJIFZQKEM-UHFFFAOYSA-N
MW417.24 g/mol
LogP4.22
Rot. Bonds6

About N-(4-bromophenyl)-2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]acetamide

N-(4-bromophenyl)-2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]acetamide (PubChem CID 56557114) has the molecular formula C18H14BrFN4O2 and a molecular weight of 417.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]acetamide
PubChem CID56557114
Molecular FormulaC18H14BrFN4O2
Molecular Weight417.24 g/mol
Exact Mass416.03
IUPAC NameN-(4-bromophenyl)-2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]acetamide
SMILESO=C(CNc1nccc(Oc2ccc(F)cc2)n1)Nc1ccc(Br)cc1
InChIInChI=1S/C18H14BrFN4O2/c19-12-1-5-14(6-2-12)23-16(25)11-22-18-21-10-9-17(24-18)26-15-7-3-13(20)4-8-15/h1-10H,11H2,(H,23,25)(H,21,22,24)
InChIKeyJEQMMCJIFZQKEM-UHFFFAOYSA-N
XLogP4.22
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.24
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80869601
4-(4-fluorophenoxy)-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-2-amine
CID 56575483
2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 60605382
2-(2-bromo-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 28939365
2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methylpentanamide
CID 133416657
2-(4-bromophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 49165568
N-(4-bromophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54821631
2-(4-fluoroanilino)-N-(4-propoxyphenyl)acetamide
CID 54811098
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-bromobenzoate
CID 2625840
2-(2,6-dibromo-4-methylanilino)-N-(4-fluorophenyl)acetamide
CID 28991479
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide
CID 54813242
2-(4-bromophenoxy)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55834611

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]acetamide (CID 56557114) is N-(4-bromophenyl)-2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]acetamide is O=C(CNc1nccc(Oc2ccc(F)cc2)n1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]acetamide?
The InChIKey is JEQMMCJIFZQKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrFN4O2/c19-12-1-5-14(6-2-12)23-16(25)11-22-18-21-10-9-17(24-18)26-15-7-3-13(20)4-8-15/h1-10H,11H2,(H,23,25)(H,21,22,24).
What are the key properties of N-(4-bromophenyl)-2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]acetamide?
N-(4-bromophenyl)-2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]acetamide has a molecular weight of 417.24 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]acetamide is sourced from PubChem (CID 56557114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).