N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

C18H19FN2O3 — CID 7709216

IUPACN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC[C@@H](c2ccco2)N(C)C)oc2ccc(F)cc12
InChIInChI=1S/C18H19FN2O3/c1-11-13-9-12(19)6-7-15(13)24-17(11)18(22)20-10-14(21(2)3)16-5-4-8-23-16/h4-9,14H,10H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyBFWGUTGBGPODEZ-AWEZNQCLSA-N
MW330.36 g/mol
LogP3.51
Rot. Bonds5

About N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 7709216) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID7709216
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC[C@@H](c2ccco2)N(C)C)oc2ccc(F)cc12
InChIInChI=1S/C18H19FN2O3/c1-11-13-9-12(19)6-7-15(13)24-17(11)18(22)20-10-14(21(2)3)16-5-4-8-23-16/h4-9,14H,10H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyBFWGUTGBGPODEZ-AWEZNQCLSA-N
XLogP3.51
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-fluorobenzamide;hydrochloride
CID 52985207
7-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8011985
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 52895585
5-fluoro-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 42018104
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 18588939
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 80710543
N-[[3-(diethylaminomethyl)phenyl]methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55854007
6-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxochromene-2-carboxamide
CID 26834060
5-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7692988
N-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 65112503
ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 47257353
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethylbenzamide
CID 51162753

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 7709216) is N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC[C@@H](c2ccco2)N(C)C)oc2ccc(F)cc12.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is BFWGUTGBGPODEZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-11-13-9-12(19)6-7-15(13)24-17(11)18(22)20-10-14(21(2)3)16-5-4-8-23-16/h4-9,14H,10H2,1-3H3,(H,20,22)/t14-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7709216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).