N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide

C19H16ClF4N3O3 — CID 145398838

IUPACN-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESC=C(CCNC(=O)COc1ccc(Cl)c(F)c1)NC(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H16ClF4N3O3/c1-11(27-18(29)16-5-2-12(9-26-16)19(22,23)24)6-7-25-17(28)10-30-13-3-4-14(20)15(21)8-13/h2-5,8-9H,1,6-7,10H2,(H,25,28)(H,27,29)
InChIKeyJDCJSWJFJLDTOJ-UHFFFAOYSA-N
MW445.80 g/mol
LogP3.72
Rot. Bonds8

About N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide

N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 145398838) has the molecular formula C19H16ClF4N3O3 and a molecular weight of 445.80 g/mol. Its IUPAC name is N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID145398838
Molecular FormulaC19H16ClF4N3O3
Molecular Weight445.80 g/mol
Exact Mass445.08
IUPAC NameN-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESC=C(CCNC(=O)COc1ccc(Cl)c(F)c1)NC(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H16ClF4N3O3/c1-11(27-18(29)16-5-2-12(9-26-16)19(22,23)24)6-7-25-17(28)10-30-13-3-4-14(20)15(21)8-13/h2-5,8-9H,1,6-7,10H2,(H,25,28)(H,27,29)
InChIKeyJDCJSWJFJLDTOJ-UHFFFAOYSA-N
XLogP3.72
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.80
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Related Compounds

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CID 68773
Nlx204; nlx204
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CID 132257105
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[4-(trifluoromethyl)pyridin-2-yl]oxyethylamino]methyl]piperidin-1-yl]methanone
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2-(4-methylphenoxy)-N-[2-(2-pyridylcarbonylamino)ethyl]acetamide
CID 2990967
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
CID 2991309
2-(2-methylphenoxy)-N-[3-(2-pyridylcarbonylamino)propyl]acetamide
CID 2992308
N-(3-{[2-(2-chlorophenoxy)acetyl]amino}propyl)nicotinamide
CID 2992561
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CID 6456985

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 145398838) is N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide is C=C(CCNC(=O)COc1ccc(Cl)c(F)c1)NC(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is JDCJSWJFJLDTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF4N3O3/c1-11(27-18(29)16-5-2-12(9-26-16)19(22,23)24)6-7-25-17(28)10-30-13-3-4-14(20)15(21)8-13/h2-5,8-9H,1,6-7,10H2,(H,25,28)(H,27,29).
What are the key properties of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 445.80 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 145398838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).