(2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-ethylpropanamide

C13H16ClFN2O2 — CID 8750460

IUPAC(2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)NC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H16ClFN2O2/c1-3-16-13(19)8(2)17-12(18)7-9-10(14)5-4-6-11(9)15/h4-6,8H,3,7H2,1-2H3,(H,16,19)(H,17,18)/t8-/m0/s1
InChIKeySEKLQMDUJOUHSW-QMMMGPOBSA-N
MW286.73 g/mol
LogP1.66
Rot. Bonds5

About (2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-ethylpropanamide

(2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-ethylpropanamide (PubChem CID 8750460) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is (2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-ethylpropanamide
PubChem CID8750460
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC Name(2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)NC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H16ClFN2O2/c1-3-16-13(19)8(2)17-12(18)7-9-10(14)5-4-6-11(9)15/h4-6,8H,3,7H2,1-2H3,(H,16,19)(H,17,18)/t8-/m0/s1
InChIKeySEKLQMDUJOUHSW-QMMMGPOBSA-N
XLogP1.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 839132
N-[(2S)-1-aminopropan-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide;hydrochloride
CID 120505968
2-(2-chloro-6-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2575385
2-(2-chloro-6-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2575382
2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 3437888
1-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-ethylthiourea
CID 7964165
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]butanedioic acid
CID 78910306
4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-methylbutanoic acid
CID 81063329
ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanoate
CID 19785916
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-ethylpropanamide
CID 132763365
N-(1-bromopentan-3-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 113496430
2-(2-chloro-6-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 42998538

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-ethylpropanamide?
The IUPAC name of (2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-ethylpropanamide (CID 8750460) is (2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-ethylpropanamide.
What is the SMILES notation for (2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-ethylpropanamide?
The canonical SMILES for (2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-ethylpropanamide is CCNC(=O)[C@H](C)NC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of (2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-ethylpropanamide?
The InChIKey is SEKLQMDUJOUHSW-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c1-3-16-13(19)8(2)17-12(18)7-9-10(14)5-4-6-11(9)15/h4-6,8H,3,7H2,1-2H3,(H,16,19)(H,17,18)/t8-/m0/s1.
What are the key properties of (2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-ethylpropanamide?
(2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-ethylpropanamide has a molecular weight of 286.73 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 8750460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).