N-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]furan-2-carboxamide

C16H15F3N2O4 — CID 17464973

IUPACN-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C16H15F3N2O4/c17-16(18,19)25-12-5-2-1-4-11(12)10-21-14(22)7-8-20-15(23)13-6-3-9-24-13/h1-6,9H,7-8,10H2,(H,20,23)(H,21,22)
InChIKeyKPNCFAPKSYJRFH-UHFFFAOYSA-N
MW356.30 g/mol
LogP2.61
Rot. Bonds7

About N-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]furan-2-carboxamide

N-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]furan-2-carboxamide (PubChem CID 17464973) has the molecular formula C16H15F3N2O4 and a molecular weight of 356.30 g/mol. Its IUPAC name is N-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]furan-2-carboxamide
PubChem CID17464973
Molecular FormulaC16H15F3N2O4
Molecular Weight356.30 g/mol
Exact Mass356.10
IUPAC NameN-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C16H15F3N2O4/c17-16(18,19)25-12-5-2-1-4-11(12)10-21-14(22)7-8-20-15(23)13-6-3-9-24-13/h1-6,9H,7-8,10H2,(H,20,23)(H,21,22)
InChIKeyKPNCFAPKSYJRFH-UHFFFAOYSA-N
XLogP2.61
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-[[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]ethyl]furan-2-carboxamide
CID 24586582
3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 9451822
N-[(2S)-1-oxo-3-phenyl-1-[[2-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]furan-2-carboxamide
CID 34553727
tert-butyl N-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]carbamate
CID 34555299
N-[4-[[2-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]furan-2-carboxamide
CID 32603356
N-[(2-ethoxyphenyl)methyl]furan-2-carboxamide
CID 28635209
4-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 63309225
N-[3-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 42385642
N-[3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 26656678
N-[3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide
CID 55710554
2-(2-chloro-6-fluorophenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 26012483
4-[3-(furan-2-carbonylamino)propanoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002517

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]furan-2-carboxamide?
The IUPAC name of N-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]furan-2-carboxamide (CID 17464973) is N-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]furan-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]furan-2-carboxamide is O=C(CCNC(=O)c1ccco1)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of N-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]furan-2-carboxamide?
The InChIKey is KPNCFAPKSYJRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4/c17-16(18,19)25-12-5-2-1-4-11(12)10-21-14(22)7-8-20-15(23)13-6-3-9-24-13/h1-6,9H,7-8,10H2,(H,20,23)(H,21,22).
What are the key properties of N-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]furan-2-carboxamide?
N-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]furan-2-carboxamide has a molecular weight of 356.30 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]furan-2-carboxamide is sourced from PubChem (CID 17464973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).