N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide

C20H21FN2O2 — CID 51498217

IUPACN-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide
SMILESCc1cc2cc(C(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)ccc2o1
InChIInChI=1S/C20H21FN2O2/c1-13-10-16-11-15(6-9-19(16)25-13)20(24)22-12-18(23(2)3)14-4-7-17(21)8-5-14/h4-11,18H,12H2,1-3H3,(H,22,24)/t18-/m0/s1
InChIKeyIWRFPNNFUREMND-SFHVURJKSA-N
MW340.40 g/mol
LogP3.91
Rot. Bonds5

About N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide

N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide (PubChem CID 51498217) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide
PubChem CID51498217
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide
SMILESCc1cc2cc(C(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)ccc2o1
InChIInChI=1S/C20H21FN2O2/c1-13-10-16-11-15(6-9-19(16)25-13)20(24)22-12-18(23(2)3)14-4-7-17(21)8-5-14/h4-11,18H,12H2,1-3H3,(H,22,24)/t18-/m0/s1
InChIKeyIWRFPNNFUREMND-SFHVURJKSA-N
XLogP3.91
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide
CID 16673326
4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide
CID 41453661
N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-fluorobenzamide
CID 26834409
N-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-methyl-4-nitrobenzamide
CID 41453630
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 7987402
N-(2-acetamidoethyl)-2-methyl-1-benzofuran-5-carboxamide
CID 72924667
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 40901223
5-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]furan-2-carboxamide
CID 41453654
N-[1-(dimethylamino)propan-2-yl]-2-methyl-1-benzofuran-5-carboxamide
CID 74236489
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 3564631
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 2129227
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 45001628

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide (CID 51498217) is N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide is Cc1cc2cc(C(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)ccc2o1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide?
The InChIKey is IWRFPNNFUREMND-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-13-10-16-11-15(6-9-19(16)25-13)20(24)22-12-18(23(2)3)14-4-7-17(21)8-5-14/h4-11,18H,12H2,1-3H3,(H,22,24)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide?
N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide is sourced from PubChem (CID 51498217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).