(2R)-N-[(4-fluorophenyl)methyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide

C17H21FN2O2 — CID 41380466

IUPAC(2R)-N-[(4-fluorophenyl)methyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
SMILESCc1ccc(CN(C)[C@H](C)C(=O)NCc2ccc(F)cc2)o1
InChIInChI=1S/C17H21FN2O2/c1-12-4-9-16(22-12)11-20(3)13(2)17(21)19-10-14-5-7-15(18)8-6-14/h4-9,13H,10-11H2,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeySTOSMRYVJIKMNS-CYBMUJFWSA-N
MW304.37 g/mol
LogP2.86
Rot. Bonds6

About (2R)-N-[(4-fluorophenyl)methyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide

(2R)-N-[(4-fluorophenyl)methyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide (PubChem CID 41380466) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is (2R)-N-[(4-fluorophenyl)methyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-[(4-fluorophenyl)methyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
PubChem CID41380466
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Name(2R)-N-[(4-fluorophenyl)methyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
SMILESCc1ccc(CN(C)[C@H](C)C(=O)NCc2ccc(F)cc2)o1
InChIInChI=1S/C17H21FN2O2/c1-12-4-9-16(22-12)11-20(3)13(2)17(21)19-10-14-5-7-15(18)8-6-14/h4-9,13H,10-11H2,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeySTOSMRYVJIKMNS-CYBMUJFWSA-N
XLogP2.86
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 9494892
(2R)-N-[(4-fluorophenyl)methyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide
CID 41375901
(2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 9102269
2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 18094165
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 133212989
N-benzyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]propanamide
CID 74519943
(2R)-2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 9251723
4-(acetamidomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 32754986
(2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(2-phenylphenyl)propanamide
CID 9102051
N-(3-chlorophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 17436769
(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
(2R)-N-(2-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 9102232

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-fluorophenyl)methyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide?
The IUPAC name of (2R)-N-[(4-fluorophenyl)methyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide (CID 41380466) is (2R)-N-[(4-fluorophenyl)methyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide.
What is the SMILES notation for (2R)-N-[(4-fluorophenyl)methyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide?
The canonical SMILES for (2R)-N-[(4-fluorophenyl)methyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide is Cc1ccc(CN(C)[C@H](C)C(=O)NCc2ccc(F)cc2)o1.
What is the InChIKey of (2R)-N-[(4-fluorophenyl)methyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide?
The InChIKey is STOSMRYVJIKMNS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-12-4-9-16(22-12)11-20(3)13(2)17(21)19-10-14-5-7-15(18)8-6-14/h4-9,13H,10-11H2,1-3H3,(H,19,21)/t13-/m1/s1.
What are the key properties of (2R)-N-[(4-fluorophenyl)methyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide?
(2R)-N-[(4-fluorophenyl)methyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide has a molecular weight of 304.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-fluorophenyl)methyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide is sourced from PubChem (CID 41380466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).