N-[4-[[2-(2-methylindol-1-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide

C23H18F3N3O3 — CID 55781872

IUPACN-[4-[[2-(2-methylindol-1-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
SMILESCc1cc2ccccc2n1CC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F
InChIInChI=1S/C23H18F3N3O3/c1-14-10-15-4-2-3-5-20(15)29(14)12-21(30)28-19-7-6-17(11-18(19)23(24,25)26)27-22(31)16-8-9-32-13-16/h2-11,13H,12H2,1H3,(H,27,31)(H,28,30)
InChIKeyAWHAONKICMBDHN-UHFFFAOYSA-N
MW441.41 g/mol
LogP5.45
Rot. Bonds5

About N-[4-[[2-(2-methylindol-1-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide

N-[4-[[2-(2-methylindol-1-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide (PubChem CID 55781872) has the molecular formula C23H18F3N3O3 and a molecular weight of 441.41 g/mol. Its IUPAC name is N-[4-[[2-(2-methylindol-1-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(2-methylindol-1-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
PubChem CID55781872
Molecular FormulaC23H18F3N3O3
Molecular Weight441.41 g/mol
Exact Mass441.13
IUPAC NameN-[4-[[2-(2-methylindol-1-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
SMILESCc1cc2ccccc2n1CC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F
InChIInChI=1S/C23H18F3N3O3/c1-14-10-15-4-2-3-5-20(15)29(14)12-21(30)28-19-7-6-17(11-18(19)23(24,25)26)27-22(31)16-8-9-32-13-16/h2-11,13H,12H2,1H3,(H,27,31)(H,28,30)
InChIKeyAWHAONKICMBDHN-UHFFFAOYSA-N
XLogP5.45
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.41
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782284
N-[4-[(4-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782346
N-[4-[(3-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782156
N-[4-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55781962
N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 30089718
N-[4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55874116
N-[2,5-dimethoxy-4-[[2-(2-methylindol-1-yl)acetyl]amino]phenyl]benzamide
CID 26705081
N-(4-chloro-2-methylphenyl)-2-(2-methylindol-1-yl)acetamide
CID 4150176
N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55782313
N-[3-[[2-(2-methylindol-1-yl)acetyl]amino]phenyl]furan-2-carboxamide
CID 17492691
2-(2-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51238620
N-[4-[2-(4-methylphenoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782218

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-methylindol-1-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The IUPAC name of N-[4-[[2-(2-methylindol-1-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide (CID 55781872) is N-[4-[[2-(2-methylindol-1-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[4-[[2-(2-methylindol-1-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The canonical SMILES for N-[4-[[2-(2-methylindol-1-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide is Cc1cc2ccccc2n1CC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F.
What is the InChIKey of N-[4-[[2-(2-methylindol-1-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The InChIKey is AWHAONKICMBDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O3/c1-14-10-15-4-2-3-5-20(15)29(14)12-21(30)28-19-7-6-17(11-18(19)23(24,25)26)27-22(31)16-8-9-32-13-16/h2-11,13H,12H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-[4-[[2-(2-methylindol-1-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide?
N-[4-[[2-(2-methylindol-1-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide has a molecular weight of 441.41 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-methylindol-1-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 55781872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).