N-[4-[2-(5-chloro-1-benzofuran-2-yl)-2-oxoethyl]cyclohexyl]furo[2,3-c]pyridine-2-carboxamide

C24H21ClN2O4 — CID 149388857

IUPACN-[4-[2-(5-chloro-1-benzofuran-2-yl)-2-oxoethyl]cyclohexyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(CC1CCC(NC(=O)c2cc3ccncc3o2)CC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C24H21ClN2O4/c25-17-3-6-20-16(10-17)12-21(30-20)19(28)9-14-1-4-18(5-2-14)27-24(29)22-11-15-7-8-26-13-23(15)31-22/h3,6-8,10-14,18H,1-2,4-5,9H2,(H,27,29)
InChIKeyYNDAKYMCHYLICS-UHFFFAOYSA-N
MW436.90 g/mol
LogP5.79
Rot. Bonds5

About N-[4-[2-(5-chloro-1-benzofuran-2-yl)-2-oxoethyl]cyclohexyl]furo[2,3-c]pyridine-2-carboxamide

N-[4-[2-(5-chloro-1-benzofuran-2-yl)-2-oxoethyl]cyclohexyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 149388857) has the molecular formula C24H21ClN2O4 and a molecular weight of 436.90 g/mol. Its IUPAC name is N-[4-[2-(5-chloro-1-benzofuran-2-yl)-2-oxoethyl]cyclohexyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(5-chloro-1-benzofuran-2-yl)-2-oxoethyl]cyclohexyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID149388857
Molecular FormulaC24H21ClN2O4
Molecular Weight436.90 g/mol
Exact Mass436.12
IUPAC NameN-[4-[2-(5-chloro-1-benzofuran-2-yl)-2-oxoethyl]cyclohexyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(CC1CCC(NC(=O)c2cc3ccncc3o2)CC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C24H21ClN2O4/c25-17-3-6-20-16(10-17)12-21(30-20)19(28)9-14-1-4-18(5-2-14)27-24(29)22-11-15-7-8-26-13-23(15)31-22/h3,6-8,10-14,18H,1-2,4-5,9H2,(H,27,29)
InChIKeyYNDAKYMCHYLICS-UHFFFAOYSA-N
XLogP5.79
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.90
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-(5-chloro-1-benzofuran-2-yl)-2-oxoethyl]cyclohexyl]furo[2,3-c]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[4-[2-(5-chloro-1-benzofuran-2-yl)-2-oxoethyl]cyclohexyl]-2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide
CID 147622236
5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide
CID 71662787
N-[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]cyclohexyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 175471553
N-(3-aminocyclopentyl)-5-chloro-1-benzofuran-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155069098
3-(3-aminocyclopentyl)-1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 158161250
[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate
CID 146506265
1-(5-chloro-1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanone
CID 114736387
5-chloro-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-1-benzofuran-2-carboxamide
CID 155990029
N-(1-azabicyclo[2.2.2]octan-3-yl)furo[2,3-c]pyridine-2-carboxamide
CID 22047383
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
5-chloro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 126773696
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(5-chloro-1-benzofuran-2-yl)-2-oxoethyl]cyclohexyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-[2-(5-chloro-1-benzofuran-2-yl)-2-oxoethyl]cyclohexyl]furo[2,3-c]pyridine-2-carboxamide (CID 149388857) is N-[4-[2-(5-chloro-1-benzofuran-2-yl)-2-oxoethyl]cyclohexyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[2-(5-chloro-1-benzofuran-2-yl)-2-oxoethyl]cyclohexyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[2-(5-chloro-1-benzofuran-2-yl)-2-oxoethyl]cyclohexyl]furo[2,3-c]pyridine-2-carboxamide is O=C(CC1CCC(NC(=O)c2cc3ccncc3o2)CC1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of N-[4-[2-(5-chloro-1-benzofuran-2-yl)-2-oxoethyl]cyclohexyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is YNDAKYMCHYLICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O4/c25-17-3-6-20-16(10-17)12-21(30-20)19(28)9-14-1-4-18(5-2-14)27-24(29)22-11-15-7-8-26-13-23(15)31-22/h3,6-8,10-14,18H,1-2,4-5,9H2,(H,27,29).
What are the key properties of N-[4-[2-(5-chloro-1-benzofuran-2-yl)-2-oxoethyl]cyclohexyl]furo[2,3-c]pyridine-2-carboxamide?
N-[4-[2-(5-chloro-1-benzofuran-2-yl)-2-oxoethyl]cyclohexyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 436.90 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(5-chloro-1-benzofuran-2-yl)-2-oxoethyl]cyclohexyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 149388857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).