N-[4-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

C25H18F3N3O4 — CID 112832589

IUPACN-[4-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C25H18F3N3O4/c26-25(27,28)20-13-18(30-24(33)22-7-3-11-34-22)8-9-21(20)31-23(32)17-5-1-6-19(12-17)35-15-16-4-2-10-29-14-16/h1-14H,15H2,(H,30,33)(H,31,32)
InChIKeyBQXUGPPXPAVJAN-UHFFFAOYSA-N
MW481.43 g/mol
LogP5.78
Rot. Bonds7

About N-[4-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[4-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 112832589) has the molecular formula C25H18F3N3O4 and a molecular weight of 481.43 g/mol. Its IUPAC name is N-[4-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID112832589
Molecular FormulaC25H18F3N3O4
Molecular Weight481.43 g/mol
Exact Mass481.12
IUPAC NameN-[4-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C25H18F3N3O4/c26-25(27,28)20-13-18(30-24(33)22-7-3-11-34-22)8-9-21(20)31-23(32)17-5-1-6-19(12-17)35-15-16-4-2-10-29-14-16/h1-14H,15H2,(H,30,33)(H,31,32)
InChIKeyBQXUGPPXPAVJAN-UHFFFAOYSA-N
XLogP5.78
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.43
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-4-[(3-phenylmethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 5348268
N-[4-[(4-ethoxy-3-methylbenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 86938042
N-(3-fluoro-4-methoxyphenyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55796689
3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55932884
N-pyridin-3-yl-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
CID 59607236
N-[4-(furan-2-carbonylamino)-3-methylphenyl]pyridine-3-carboxamide
CID 650804
N-[3-(2-pyridin-3-ylethoxy)phenyl]furan-2-carboxamide
CID 75457531
N-[4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55668358
N-(6-phenylmethoxy-3-pyridinyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55880084
N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55573943
N-[4-(ethylsulfonylamino)phenyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55960984
1-N,3-N-bis[4-chloro-3-(trifluoromethyl)phenyl]-5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]methoxy]benzene-1,3-dicarboxamide
CID 10191103

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 112832589) is N-[4-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of N-[4-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is BQXUGPPXPAVJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N3O4/c26-25(27,28)20-13-18(30-24(33)22-7-3-11-34-22)8-9-21(20)31-23(32)17-5-1-6-19(12-17)35-15-16-4-2-10-29-14-16/h1-14H,15H2,(H,30,33)(H,31,32).
What are the key properties of N-[4-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[4-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 481.43 g/mol, XLogP of 5.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 112832589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).