N-(3-aminocyclopentyl)-5-chloro-1-benzofuran-2-carboxamide;2,2,2-trifluoroacetic acid

C16H16ClF3N2O4 — CID 155069098

IUPACN-(3-aminocyclopentyl)-5-chloro-1-benzofuran-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC1CCC(NC(=O)c2cc3cc(Cl)ccc3o2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H15ClN2O2.C2HF3O2/c15-9-1-4-12-8(5-9)6-13(19-12)14(18)17-11-3-2-10(16)7-11;3-2(4,5)1(6)7/h1,4-6,10-11H,2-3,7,16H2,(H,17,18);(H,6,7)
InChIKeyIGNRHYYJRGHCDT-UHFFFAOYSA-N
MW392.76 g/mol
LogP3.33
Rot. Bonds2

About N-(3-aminocyclopentyl)-5-chloro-1-benzofuran-2-carboxamide;2,2,2-trifluoroacetic acid

N-(3-aminocyclopentyl)-5-chloro-1-benzofuran-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155069098) has the molecular formula C16H16ClF3N2O4 and a molecular weight of 392.76 g/mol. Its IUPAC name is N-(3-aminocyclopentyl)-5-chloro-1-benzofuran-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(3-aminocyclopentyl)-5-chloro-1-benzofuran-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155069098
Molecular FormulaC16H16ClF3N2O4
Molecular Weight392.76 g/mol
Exact Mass392.08
IUPAC NameN-(3-aminocyclopentyl)-5-chloro-1-benzofuran-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC1CCC(NC(=O)c2cc3cc(Cl)ccc3o2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H15ClN2O2.C2HF3O2/c15-9-1-4-12-8(5-9)6-13(19-12)14(18)17-11-3-2-10(16)7-11;3-2(4,5)1(6)7/h1,4-6,10-11H,2-3,7,16H2,(H,17,18);(H,6,7)
InChIKeyIGNRHYYJRGHCDT-UHFFFAOYSA-N
XLogP3.33
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.76
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide
CID 71662787
[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate
CID 146506265
3-(3-aminocyclopentyl)-1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 158161250
N-[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]cyclohexyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 175471553
5-chloro-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-1-benzofuran-2-carboxamide
CID 155990029
N-[4-[2-(5-chloro-1-benzofuran-2-yl)-2-oxoethyl]cyclohexyl]furo[2,3-c]pyridine-2-carboxamide
CID 149388857
5-chloro-N-[(1S,3S)-3-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]cyclopentyl]-1-benzofuran-2-carboxamide
CID 155069095
cis-(1R,3S)-3-(1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 97318321
N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide
CID 19240925
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]-5-fluoro-1-benzofuran-2-carboxamide
CID 167099450
5-chloro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 126773696
5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide
CID 9327354

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclopentyl)-5-chloro-1-benzofuran-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(3-aminocyclopentyl)-5-chloro-1-benzofuran-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155069098) is N-(3-aminocyclopentyl)-5-chloro-1-benzofuran-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(3-aminocyclopentyl)-5-chloro-1-benzofuran-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(3-aminocyclopentyl)-5-chloro-1-benzofuran-2-carboxamide;2,2,2-trifluoroacetic acid is NC1CCC(NC(=O)c2cc3cc(Cl)ccc3o2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(3-aminocyclopentyl)-5-chloro-1-benzofuran-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is IGNRHYYJRGHCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2.C2HF3O2/c15-9-1-4-12-8(5-9)6-13(19-12)14(18)17-11-3-2-10(16)7-11;3-2(4,5)1(6)7/h1,4-6,10-11H,2-3,7,16H2,(H,17,18);(H,6,7).
What are the key properties of N-(3-aminocyclopentyl)-5-chloro-1-benzofuran-2-carboxamide;2,2,2-trifluoroacetic acid?
N-(3-aminocyclopentyl)-5-chloro-1-benzofuran-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 392.76 g/mol, XLogP of 3.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclopentyl)-5-chloro-1-benzofuran-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155069098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).