2-(3-chloro-4-fluorophenoxy)-N-(6-methoxypyrimidin-4-yl)-2-phenylacetamide

C19H15ClFN3O3 — CID 146147762

IUPAC2-(3-chloro-4-fluorophenoxy)-N-(6-methoxypyrimidin-4-yl)-2-phenylacetamide
SMILESCOc1cc(NC(=O)C(Oc2ccc(F)c(Cl)c2)c2ccccc2)ncn1
InChIInChI=1S/C19H15ClFN3O3/c1-26-17-10-16(22-11-23-17)24-19(25)18(12-5-3-2-4-6-12)27-13-7-8-15(21)14(20)9-13/h2-11,18H,1H3,(H,22,23,24,25)
InChIKeyWXYWSUXCEYADDA-UHFFFAOYSA-N
MW387.80 g/mol
LogP4.04
Rot. Bonds6

About 2-(3-chloro-4-fluorophenoxy)-N-(6-methoxypyrimidin-4-yl)-2-phenylacetamide

2-(3-chloro-4-fluorophenoxy)-N-(6-methoxypyrimidin-4-yl)-2-phenylacetamide (PubChem CID 146147762) has the molecular formula C19H15ClFN3O3 and a molecular weight of 387.80 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-(6-methoxypyrimidin-4-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-(6-methoxypyrimidin-4-yl)-2-phenylacetamide
PubChem CID146147762
Molecular FormulaC19H15ClFN3O3
Molecular Weight387.80 g/mol
Exact Mass387.08
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-(6-methoxypyrimidin-4-yl)-2-phenylacetamide
SMILESCOc1cc(NC(=O)C(Oc2ccc(F)c(Cl)c2)c2ccccc2)ncn1
InChIInChI=1S/C19H15ClFN3O3/c1-26-17-10-16(22-11-23-17)24-19(25)18(12-5-3-2-4-6-12)27-13-7-8-15(21)14(20)9-13/h2-11,18H,1H3,(H,22,23,24,25)
InChIKeyWXYWSUXCEYADDA-UHFFFAOYSA-N
XLogP4.04
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.80
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl N-(6-methoxypyrimidin-4-yl)carbamate
CID 66833981
2-(3-chloro-4-fluorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120943683
N-(6-methoxy-3-pyridinyl)-2-phenoxy-2-phenylacetamide
CID 46489256
N-(3-chloro-4-fluorophenyl)-6-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109358556
(2S)-N-cyclopropyl-2-(3,4-dichlorophenoxy)-2-phenylacetamide
CID 9417632
N-(5-methyl-2-pyridinyl)-2-phenoxy-2-phenylacetamide
CID 60543327
N-(6-chloropyrimidin-4-yl)-2-phenylpropanamide
CID 114050017
2-[(6-methoxypyrimidin-4-yl)amino]-1-phenylethanol
CID 45242537
N-(2-chloro-2-phenylethyl)-6-methoxypyrimidin-4-amine
CID 66317864
(2R)-N-(4-ethoxyphenyl)-2-(4-methoxyphenoxy)-2-phenylacetamide
CID 96564594
2-chloro-N-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]propanamide
CID 42602539
2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 8579822

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(6-methoxypyrimidin-4-yl)-2-phenylacetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(6-methoxypyrimidin-4-yl)-2-phenylacetamide (CID 146147762) is 2-(3-chloro-4-fluorophenoxy)-N-(6-methoxypyrimidin-4-yl)-2-phenylacetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-(6-methoxypyrimidin-4-yl)-2-phenylacetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-(6-methoxypyrimidin-4-yl)-2-phenylacetamide is COc1cc(NC(=O)C(Oc2ccc(F)c(Cl)c2)c2ccccc2)ncn1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-(6-methoxypyrimidin-4-yl)-2-phenylacetamide?
The InChIKey is WXYWSUXCEYADDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O3/c1-26-17-10-16(22-11-23-17)24-19(25)18(12-5-3-2-4-6-12)27-13-7-8-15(21)14(20)9-13/h2-11,18H,1H3,(H,22,23,24,25).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-(6-methoxypyrimidin-4-yl)-2-phenylacetamide?
2-(3-chloro-4-fluorophenoxy)-N-(6-methoxypyrimidin-4-yl)-2-phenylacetamide has a molecular weight of 387.80 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-(6-methoxypyrimidin-4-yl)-2-phenylacetamide is sourced from PubChem (CID 146147762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).