N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-fluorobenzamide

C16H19FN2O2 — CID 26834409

IUPACN-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-fluorobenzamide
SMILESCc1ccc([C@H](CNC(=O)c2ccc(F)cc2)N(C)C)o1
InChIInChI=1S/C16H19FN2O2/c1-11-4-9-15(21-11)14(19(2)3)10-18-16(20)12-5-7-13(17)8-6-12/h4-9,14H,10H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyUNDQXBDEFAEOTH-AWEZNQCLSA-N
MW290.34 g/mol
LogP2.76
Rot. Bonds5

About N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-fluorobenzamide

N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-fluorobenzamide (PubChem CID 26834409) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-fluorobenzamide
PubChem CID26834409
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-fluorobenzamide
SMILESCc1ccc([C@H](CNC(=O)c2ccc(F)cc2)N(C)C)o1
InChIInChI=1S/C16H19FN2O2/c1-11-4-9-15(21-11)14(19(2)3)10-18-16(20)12-5-7-13(17)8-6-12/h4-9,14H,10H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyUNDQXBDEFAEOTH-AWEZNQCLSA-N
XLogP2.76
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide
CID 22509557
4-tert-butyl-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide
CID 26834395
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-ethoxybenzamide
CID 26834445
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-3-methylbenzamide
CID 26834391
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-fluorobenzamide;hydrochloride
CID 52985207
3-chloro-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-methoxybenzamide
CID 26834913
4-fluoro-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 146052595
N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]furan-2-carboxamide
CID 26834441
4-fluoro-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 35674097
4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide
CID 41453661
N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]furan-2-carboxamide;hydrochloride
CID 146052539
N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide
CID 51498217

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-fluorobenzamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-fluorobenzamide (CID 26834409) is N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-fluorobenzamide is Cc1ccc([C@H](CNC(=O)c2ccc(F)cc2)N(C)C)o1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-fluorobenzamide?
The InChIKey is UNDQXBDEFAEOTH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-11-4-9-15(21-11)14(19(2)3)10-18-16(20)12-5-7-13(17)8-6-12/h4-9,14H,10H2,1-3H3,(H,18,20)/t14-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-fluorobenzamide?
N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-fluorobenzamide has a molecular weight of 290.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 26834409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).