4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-morpholin-4-yl-3-(trifluoromethyl)benzamide;morpholine

C38H39F7N4O6 — CID 159506985

IUPAC4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-morpholin-4-yl-3-(trifluoromethyl)benzamide;morpholine
SMILESC1COCCN1.COc1cccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c1.COc1cccc(NC(=O)c2ccc(N3CCOCC3)c(C(F)(F)F)c2)c1
InChIInChI=1S/C19H19F3N2O3.C15H11F4NO2.C4H9NO/c1-26-15-4-2-3-14(12-15)23-18(25)13-5-6-17(16(11-13)19(20,21)22)24-7-9-27-10-8-24;1-22-11-4-2-3-10(8-11)20-14(21)9-5-6-13(16)12(7-9)15(17,18)19;1-3-6-4-2-5-1/h2-6,11-12H,7-10H2,1H3,(H,23,25);2-8H,1H3,(H,20,21);5H,1-4H2
InChIKeyMACRDSWXQIAKQA-UHFFFAOYSA-N
MW780.74 g/mol
LogP7.51
Rot. Bonds7

About 4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-morpholin-4-yl-3-(trifluoromethyl)benzamide;morpholine

4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-morpholin-4-yl-3-(trifluoromethyl)benzamide;morpholine (PubChem CID 159506985) has the molecular formula C38H39F7N4O6 and a molecular weight of 780.74 g/mol. Its IUPAC name is 4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-morpholin-4-yl-3-(trifluoromethyl)benzamide;morpholine.

Molecular Properties

Compound Name4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-morpholin-4-yl-3-(trifluoromethyl)benzamide;morpholine
PubChem CID159506985
Molecular FormulaC38H39F7N4O6
Molecular Weight780.74 g/mol
Exact Mass780.28
IUPAC Name4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-morpholin-4-yl-3-(trifluoromethyl)benzamide;morpholine
SMILESC1COCCN1.COc1cccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c1.COc1cccc(NC(=O)c2ccc(N3CCOCC3)c(C(F)(F)F)c2)c1
InChIInChI=1S/C19H19F3N2O3.C15H11F4NO2.C4H9NO/c1-26-15-4-2-3-14(12-15)23-18(25)13-5-6-17(16(11-13)19(20,21)22)24-7-9-27-10-8-24;1-22-11-4-2-3-10(8-11)20-14(21)9-5-6-13(16)12(7-9)15(17,18)19;1-3-6-4-2-5-1/h2-6,11-12H,7-10H2,1H3,(H,23,25);2-8H,1H3,(H,20,21);5H,1-4H2
InChIKeyMACRDSWXQIAKQA-UHFFFAOYSA-N
XLogP7.51
TPSA110.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.74
LogP ≤ 57.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

Epptb
CID 25175634
3-[4-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-4-[3-(3-methoxy-phenyl)-ureido]-benzoic acid methyl ester
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N-(3-methoxyphenyl)-4-(pyrrolidin-1-yl)-3-(trifluoromethyl)benzamide
CID 25175463
N-(3-isopropoxyphenyl)-4-(pyrrolidin-1-yl)-3-(trifluoromethyl)benzamide
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N-(3-(difluoromethoxy)phenyl)-4-(pyrrolidin-1-yl)-3-(trifluoromethyl)benzamide
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4-(pyrrolidin-1-yl)-N-(3-(1,1,2,2-tetrafluoroethoxy)phenyl)-3-(trifluoromethyl)benzamide
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4-(pyrrolidin-1-yl)-N-(3-(trifluoromethoxy)phenyl)-3-(trifluoromethyl)benzamide
CID 53319590
N-(3-phenoxyphenyl)-4-(pyrrolidin-1-yl)-3-(trifluoromethyl)benzamide
CID 53319591
2-methoxy-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzamide
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ethyl 4-[3-[N-[(4-fluorophenyl)methyl]-3-phenoxyanilino]propanoylamino]benzoate
CID 127026271
N-[3-(1-benzoylpiperidin-4-yl)oxy-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-morpholin-4-yl-3-(trifluoromethyl)benzamide;morpholine?
The IUPAC name of 4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-morpholin-4-yl-3-(trifluoromethyl)benzamide;morpholine (CID 159506985) is 4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-morpholin-4-yl-3-(trifluoromethyl)benzamide;morpholine.
What is the SMILES notation for 4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-morpholin-4-yl-3-(trifluoromethyl)benzamide;morpholine?
The canonical SMILES for 4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-morpholin-4-yl-3-(trifluoromethyl)benzamide;morpholine is C1COCCN1.COc1cccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c1.COc1cccc(NC(=O)c2ccc(N3CCOCC3)c(C(F)(F)F)c2)c1.
What is the InChIKey of 4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-morpholin-4-yl-3-(trifluoromethyl)benzamide;morpholine?
The InChIKey is MACRDSWXQIAKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3.C15H11F4NO2.C4H9NO/c1-26-15-4-2-3-14(12-15)23-18(25)13-5-6-17(16(11-13)19(20,21)22)24-7-9-27-10-8-24;1-22-11-4-2-3-10(8-11)20-14(21)9-5-6-13(16)12(7-9)15(17,18)19;1-3-6-4-2-5-1/h2-6,11-12H,7-10H2,1H3,(H,23,25);2-8H,1H3,(H,20,21);5H,1-4H2.
What are the key properties of 4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-morpholin-4-yl-3-(trifluoromethyl)benzamide;morpholine?
4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-morpholin-4-yl-3-(trifluoromethyl)benzamide;morpholine has a molecular weight of 780.74 g/mol, XLogP of 7.51, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide;N-(3-methoxyphenyl)-4-morpholin-4-yl-3-(trifluoromethyl)benzamide;morpholine is sourced from PubChem (CID 159506985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).