N-[6-(3,5-difluorophenyl)-3-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide

C25H21F5N4O4 — CID 86292248

IUPACN-[6-(3,5-difluorophenyl)-3-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide
SMILESO=C(CN1CCOCC1)Nc1cc(C(=O)Nc2ccc(-c3cc(F)cc(F)c3)nc2)ccc1OC(F)(F)F
InChIInChI=1S/C25H21F5N4O4/c26-17-9-16(10-18(27)12-17)20-3-2-19(13-31-20)32-24(36)15-1-4-22(38-25(28,29)30)21(11-15)33-23(35)14-34-5-7-37-8-6-34/h1-4,9-13H,5-8,14H2,(H,32,36)(H,33,35)
InChIKeyIYUPRDIKQBFHNY-UHFFFAOYSA-N
MW536.46 g/mol
LogP4.45
Rot. Bonds7

About N-[6-(3,5-difluorophenyl)-3-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide

N-[6-(3,5-difluorophenyl)-3-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide (PubChem CID 86292248) has the molecular formula C25H21F5N4O4 and a molecular weight of 536.46 g/mol. Its IUPAC name is N-[6-(3,5-difluorophenyl)-3-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[6-(3,5-difluorophenyl)-3-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide
PubChem CID86292248
Molecular FormulaC25H21F5N4O4
Molecular Weight536.46 g/mol
Exact Mass536.15
IUPAC NameN-[6-(3,5-difluorophenyl)-3-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide
SMILESO=C(CN1CCOCC1)Nc1cc(C(=O)Nc2ccc(-c3cc(F)cc(F)c3)nc2)ccc1OC(F)(F)F
InChIInChI=1S/C25H21F5N4O4/c26-17-9-16(10-18(27)12-17)20-3-2-19(13-31-20)32-24(36)15-1-4-22(38-25(28,29)30)21(11-15)33-23(35)14-34-5-7-37-8-6-34/h1-4,9-13H,5-8,14H2,(H,32,36)(H,33,35)
InChIKeyIYUPRDIKQBFHNY-UHFFFAOYSA-N
XLogP4.45
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.46
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-difluorophenyl)-3-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[6-(3,5-difluorophenyl)-3-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide (CID 86292248) is N-[6-(3,5-difluorophenyl)-3-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[6-(3,5-difluorophenyl)-3-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[6-(3,5-difluorophenyl)-3-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide is O=C(CN1CCOCC1)Nc1cc(C(=O)Nc2ccc(-c3cc(F)cc(F)c3)nc2)ccc1OC(F)(F)F.
What is the InChIKey of N-[6-(3,5-difluorophenyl)-3-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide?
The InChIKey is IYUPRDIKQBFHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F5N4O4/c26-17-9-16(10-18(27)12-17)20-3-2-19(13-31-20)32-24(36)15-1-4-22(38-25(28,29)30)21(11-15)33-23(35)14-34-5-7-37-8-6-34/h1-4,9-13H,5-8,14H2,(H,32,36)(H,33,35).
What are the key properties of N-[6-(3,5-difluorophenyl)-3-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide?
N-[6-(3,5-difluorophenyl)-3-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide has a molecular weight of 536.46 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-difluorophenyl)-3-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 86292248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).