N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide

C20H16ClFN4O3 — CID 25195958

IUPACN-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
SMILESNc1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)c(Cl)c2)ccn1
InChIInChI=1S/C20H16ClFN4O3/c21-16-10-14(29-15-7-8-24-18(23)11-15)5-6-17(16)25-20(28)26-19(27)9-12-1-3-13(22)4-2-12/h1-8,10-11H,9H2,(H2,23,24)(H2,25,26,27,28)
InChIKeyDCMMVDCQSNWPCS-UHFFFAOYSA-N
MW414.82 g/mol
LogP4.14
Rot. Bonds5

About N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide

N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide (PubChem CID 25195958) has the molecular formula C20H16ClFN4O3 and a molecular weight of 414.82 g/mol. Its IUPAC name is N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
PubChem CID25195958
Molecular FormulaC20H16ClFN4O3
Molecular Weight414.82 g/mol
Exact Mass414.09
IUPAC NameN-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
SMILESNc1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)c(Cl)c2)ccn1
InChIInChI=1S/C20H16ClFN4O3/c21-16-10-14(29-15-7-8-24-18(23)11-15)5-6-17(16)25-20(28)26-19(27)9-12-1-3-13(22)4-2-12/h1-8,10-11H,9H2,(H2,23,24)(H2,25,26,27,28)
InChIKeyDCMMVDCQSNWPCS-UHFFFAOYSA-N
XLogP4.14
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.82
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamothioyl]-2-phenylacetamide
CID 87651828
N-[[4-[(2-amino-4-pyridinyl)oxy]-2-methoxyphenyl]carbamothioyl]-2-(4-fluorophenyl)acetamide
CID 59011630
N-[[4-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 59011619
N'-[4-[(2-amino-4-pyridinyl)oxy]-2-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)propanediamide
CID 23153165
N-[[4-[(2-amino-4-pyridinyl)oxy]-2-methylphenyl]carbamothioyl]-2-phenylacetamide
CID 87654266
N-(2-chloropyrimidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]acetamide
CID 19423455
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 4854024
4-(4-amino-3-chlorophenoxy)pyridin-2-amine
CID 22936798
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759267
2-(4-fluorophenyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 797745
2-[4-(4-fluorophenoxy)phenyl]-N-(2-methylsulfanylpyrimidin-4-yl)acetamide
CID 19423470
2-[4-[2-amino-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-3-pyridinyl]phenyl]acetamide
CID 25195743

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide (CID 25195958) is N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide is Nc1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)c(Cl)c2)ccn1.
What is the InChIKey of N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is DCMMVDCQSNWPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O3/c21-16-10-14(29-15-7-8-24-18(23)11-15)5-6-17(16)25-20(28)26-19(27)9-12-1-3-13(22)4-2-12/h1-8,10-11H,9H2,(H2,23,24)(H2,25,26,27,28).
What are the key properties of N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide?
N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 414.82 g/mol, XLogP of 4.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 25195958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).