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

C22H22ClFN2O3 — CID 45136478

IUPACN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCC(c2ccc(Cl)cc2)N2CCOCC2)oc2ccc(F)cc12
InChIInChI=1S/C22H22ClFN2O3/c1-14-18-12-17(24)6-7-20(18)29-21(14)22(27)25-13-19(26-8-10-28-11-9-26)15-2-4-16(23)5-3-15/h2-7,12,19H,8-11,13H2,1H3,(H,25,27)
InChIKeyWRUCDFUJCAEIGD-UHFFFAOYSA-N
MW416.88 g/mol
LogP4.34
Rot. Bonds5

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

N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 45136478) has the molecular formula C22H22ClFN2O3 and a molecular weight of 416.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID45136478
Molecular FormulaC22H22ClFN2O3
Molecular Weight416.88 g/mol
Exact Mass416.13
IUPAC NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCC(c2ccc(Cl)cc2)N2CCOCC2)oc2ccc(F)cc12
InChIInChI=1S/C22H22ClFN2O3/c1-14-18-12-17(24)6-7-20(18)29-21(14)22(27)25-13-19(26-8-10-28-11-9-26)15-2-4-16(23)5-3-15/h2-7,12,19H,8-11,13H2,1H3,(H,25,27)
InChIKeyWRUCDFUJCAEIGD-UHFFFAOYSA-N
XLogP4.34
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.88
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 45155245
3,5-dimethyl-N-[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 35577669
5-chloro-3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 35343024
5-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 52985399
N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide
CID 34949347
5-chloro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 29105864
5-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 52985339
N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 35573124
N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 35573121
5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 40872184
5-chloro-2-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 17460307
5-fluoro-3-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 146052704

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 45136478) is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCC(c2ccc(Cl)cc2)N2CCOCC2)oc2ccc(F)cc12.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is WRUCDFUJCAEIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN2O3/c1-14-18-12-17(24)6-7-20(18)29-21(14)22(27)25-13-19(26-8-10-28-11-9-26)15-2-4-16(23)5-3-15/h2-7,12,19H,8-11,13H2,1H3,(H,25,27).
What are the key properties of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 416.88 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 45136478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).