(2R)-N-(2-chloro-4-fluorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide

C19H22ClFN2O2 — CID 8515292

IUPAC(2R)-N-(2-chloro-4-fluorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
SMILESCCOc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C19H22ClFN2O2/c1-4-25-16-8-5-14(6-9-16)12-23(3)13(2)19(24)22-18-10-7-15(21)11-17(18)20/h5-11,13H,4,12H2,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyNLUBPXKCURRFGM-CYBMUJFWSA-N
MW364.85 g/mol
LogP4.34
Rot. Bonds7

About (2R)-N-(2-chloro-4-fluorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide

(2R)-N-(2-chloro-4-fluorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide (PubChem CID 8515292) has the molecular formula C19H22ClFN2O2 and a molecular weight of 364.85 g/mol. Its IUPAC name is (2R)-N-(2-chloro-4-fluorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-chloro-4-fluorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
PubChem CID8515292
Molecular FormulaC19H22ClFN2O2
Molecular Weight364.85 g/mol
Exact Mass364.14
IUPAC Name(2R)-N-(2-chloro-4-fluorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
SMILESCCOc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C19H22ClFN2O2/c1-4-25-16-8-5-14(6-9-16)12-23(3)13(2)19(24)22-18-10-7-15(21)11-17(18)20/h5-11,13H,4,12H2,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyNLUBPXKCURRFGM-CYBMUJFWSA-N
XLogP4.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 51168197
(2R)-N-(5-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494910
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 8024150
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 9494892
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide
CID 8515256
(2R)-N-(2,5-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494772
N-(2-chloro-4-fluorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 55470118
(2S)-N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494913
(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 9274605
methyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate
CID 8695096
(2R)-N-(3-bromophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494784
(2S)-N-(2-ethoxyphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide
CID 40761080

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chloro-4-fluorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide?
The IUPAC name of (2R)-N-(2-chloro-4-fluorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide (CID 8515292) is (2R)-N-(2-chloro-4-fluorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide.
What is the SMILES notation for (2R)-N-(2-chloro-4-fluorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide?
The canonical SMILES for (2R)-N-(2-chloro-4-fluorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide is CCOc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1.
What is the InChIKey of (2R)-N-(2-chloro-4-fluorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide?
The InChIKey is NLUBPXKCURRFGM-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22ClFN2O2/c1-4-25-16-8-5-14(6-9-16)12-23(3)13(2)19(24)22-18-10-7-15(21)11-17(18)20/h5-11,13H,4,12H2,1-3H3,(H,22,24)/t13-/m1/s1.
What are the key properties of (2R)-N-(2-chloro-4-fluorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide?
(2R)-N-(2-chloro-4-fluorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide has a molecular weight of 364.85 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chloro-4-fluorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 8515292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).