N-[4-[2-(cyclopropylmethoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide

C19H19F3N2O4 — CID 86847265

IUPACN-[4-[2-(cyclopropylmethoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
SMILESCC(OCC1CC1)C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F
InChIInChI=1S/C19H19F3N2O4/c1-11(28-9-12-2-3-12)17(25)24-16-5-4-14(8-15(16)19(20,21)22)23-18(26)13-6-7-27-10-13/h4-8,10-12H,2-3,9H2,1H3,(H,23,26)(H,24,25)
InChIKeyYSQWOPBZGHSZNJ-UHFFFAOYSA-N
MW396.37 g/mol
LogP4.30
Rot. Bonds7

About N-[4-[2-(cyclopropylmethoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide

N-[4-[2-(cyclopropylmethoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide (PubChem CID 86847265) has the molecular formula C19H19F3N2O4 and a molecular weight of 396.37 g/mol. Its IUPAC name is N-[4-[2-(cyclopropylmethoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropylmethoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
PubChem CID86847265
Molecular FormulaC19H19F3N2O4
Molecular Weight396.37 g/mol
Exact Mass396.13
IUPAC NameN-[4-[2-(cyclopropylmethoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
SMILESCC(OCC1CC1)C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F
InChIInChI=1S/C19H19F3N2O4/c1-11(28-9-12-2-3-12)17(25)24-16-5-4-14(8-15(16)19(20,21)22)23-18(26)13-6-7-27-10-13/h4-8,10-12H,2-3,9H2,1H3,(H,23,26)(H,24,25)
InChIKeyYSQWOPBZGHSZNJ-UHFFFAOYSA-N
XLogP4.30
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(4-methylphenoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782218
N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 30089718
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-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55782313
N-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782284
N-[4-[[2-(2-methylindol-1-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55781872
N-[4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55874116
5-(tert-butylsulfamoyl)-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55782285
4-[2-(cyclopropylmethoxy)propanoylamino]-N-methylbenzamide
CID 47422905
3-[[(2S)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide
CID 95383218
3-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide
CID 95383219

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropylmethoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The IUPAC name of N-[4-[2-(cyclopropylmethoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide (CID 86847265) is N-[4-[2-(cyclopropylmethoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[4-[2-(cyclopropylmethoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The canonical SMILES for N-[4-[2-(cyclopropylmethoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide is CC(OCC1CC1)C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F.
What is the InChIKey of N-[4-[2-(cyclopropylmethoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The InChIKey is YSQWOPBZGHSZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4/c1-11(28-9-12-2-3-12)17(25)24-16-5-4-14(8-15(16)19(20,21)22)23-18(26)13-6-7-27-10-13/h4-8,10-12H,2-3,9H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-[2-(cyclopropylmethoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide?
N-[4-[2-(cyclopropylmethoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide has a molecular weight of 396.37 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropylmethoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 86847265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).