N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzamide

C27H24F4N4O4 — CID 86292058

IUPACN-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1ccc(-c2ccccc2F)nc1)c1ccc(OC(F)(F)F)c(NC(=O)C2(N3CCOCC3)CC2)c1
InChIInChI=1S/C27H24F4N4O4/c28-20-4-2-1-3-19(20)21-7-6-18(16-32-21)33-24(36)17-5-8-23(39-27(29,30)31)22(15-17)34-25(37)26(9-10-26)35-11-13-38-14-12-35/h1-8,15-16H,9-14H2,(H,33,36)(H,34,37)
InChIKeyCWKJBWOIRXMPCC-UHFFFAOYSA-N
MW544.51 g/mol
LogP4.84
Rot. Bonds7

About N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzamide

N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzamide (PubChem CID 86292058) has the molecular formula C27H24F4N4O4 and a molecular weight of 544.51 g/mol. Its IUPAC name is N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzamide
PubChem CID86292058
Molecular FormulaC27H24F4N4O4
Molecular Weight544.51 g/mol
Exact Mass544.17
IUPAC NameN-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1ccc(-c2ccccc2F)nc1)c1ccc(OC(F)(F)F)c(NC(=O)C2(N3CCOCC3)CC2)c1
InChIInChI=1S/C27H24F4N4O4/c28-20-4-2-1-3-19(20)21-7-6-18(16-32-21)33-24(36)17-5-8-23(39-27(29,30)31)22(15-17)34-25(37)26(9-10-26)35-11-13-38-14-12-35/h1-8,15-16H,9-14H2,(H,33,36)(H,34,37)
InChIKeyCWKJBWOIRXMPCC-UHFFFAOYSA-N
XLogP4.84
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.51
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzamide (CID 86292058) is N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzamide is O=C(Nc1ccc(-c2ccccc2F)nc1)c1ccc(OC(F)(F)F)c(NC(=O)C2(N3CCOCC3)CC2)c1.
What is the InChIKey of N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzamide?
The InChIKey is CWKJBWOIRXMPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F4N4O4/c28-20-4-2-1-3-19(20)21-7-6-18(16-32-21)33-24(36)17-5-8-23(39-27(29,30)31)22(15-17)34-25(37)26(9-10-26)35-11-13-38-14-12-35/h1-8,15-16H,9-14H2,(H,33,36)(H,34,37).
What are the key properties of N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzamide?
N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzamide has a molecular weight of 544.51 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 86292058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).