N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

C26H31FN2O3 — CID 45155245

IUPACN-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCC(c2ccc(C(C)(C)C)cc2)N2CCOCC2)oc2ccc(F)cc12
InChIInChI=1S/C26H31FN2O3/c1-17-21-15-20(27)9-10-23(21)32-24(17)25(30)28-16-22(29-11-13-31-14-12-29)18-5-7-19(8-6-18)26(2,3)4/h5-10,15,22H,11-14,16H2,1-4H3,(H,28,30)
InChIKeyHVGSIGXYJOVXIY-UHFFFAOYSA-N
MW438.54 g/mol
LogP4.98
Rot. Bonds5

About N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 45155245) has the molecular formula C26H31FN2O3 and a molecular weight of 438.54 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID45155245
Molecular FormulaC26H31FN2O3
Molecular Weight438.54 g/mol
Exact Mass438.23
IUPAC NameN-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCC(c2ccc(C(C)(C)C)cc2)N2CCOCC2)oc2ccc(F)cc12
InChIInChI=1S/C26H31FN2O3/c1-17-21-15-20(27)9-10-23(21)32-24(17)25(30)28-16-22(29-11-13-31-14-12-29)18-5-7-19(8-6-18)26(2,3)4/h5-10,15,22H,11-14,16H2,1-4H3,(H,28,30)
InChIKeyHVGSIGXYJOVXIY-UHFFFAOYSA-N
XLogP4.98
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 45136478
N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 35577223
3,5-dimethyl-N-[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 35577669
5-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 52985399
5-fluoro-3-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 146052704
4-tert-butyl-N-[3-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 27810065
5-chloro-3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 35343024
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylthiophene-2-carboxamide
CID 86978865
N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6-chloro-7-methyl-4-oxochromene-2-carboxamide
CID 45155229
5-chloro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 29105864
N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 35577753
3,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 35577586

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 45155245) is N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCC(c2ccc(C(C)(C)C)cc2)N2CCOCC2)oc2ccc(F)cc12.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is HVGSIGXYJOVXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN2O3/c1-17-21-15-20(27)9-10-23(21)32-24(17)25(30)28-16-22(29-11-13-31-14-12-29)18-5-7-19(8-6-18)26(2,3)4/h5-10,15,22H,11-14,16H2,1-4H3,(H,28,30).
What are the key properties of N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 438.54 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 45155245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).