2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-fluorophenyl)acetamide

C17H25FN2O — CID 81390056

IUPAC2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-fluorophenyl)acetamide
SMILESC[C@H](NCC(=O)Nc1ccccc1F)C1CCCCCC1
InChIInChI=1S/C17H25FN2O/c1-13(14-8-4-2-3-5-9-14)19-12-17(21)20-16-11-7-6-10-15(16)18/h6-7,10-11,13-14,19H,2-5,8-9,12H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyBAPLRRPOQSNUGI-ZDUSSCGKSA-N
MW292.40 g/mol
LogP3.71
Rot. Bonds5

About 2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-fluorophenyl)acetamide

2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-fluorophenyl)acetamide (PubChem CID 81390056) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-fluorophenyl)acetamide
PubChem CID81390056
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-fluorophenyl)acetamide
SMILESC[C@H](NCC(=O)Nc1ccccc1F)C1CCCCCC1
InChIInChI=1S/C17H25FN2O/c1-13(14-8-4-2-3-5-9-14)19-12-17(21)20-16-11-7-6-10-15(16)18/h6-7,10-11,13-14,19H,2-5,8-9,12H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyBAPLRRPOQSNUGI-ZDUSSCGKSA-N
XLogP3.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(1-cyclohexylethylamino)acetamide
CID 62406464
N-(2-bromophenyl)-2-(1-cyclopropylethylamino)acetamide
CID 43401788
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2-fluorophenyl)acetamide
CID 43179815
2-(cyclohexylmethylamino)-N-(2-fluorophenyl)acetamide
CID 43215446
(2R)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 83194252
N-(2-fluorophenyl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 79248992
2-(2-cyclohexylethylamino)-N-(2-fluorophenyl)acetamide
CID 60921066
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-propylpropanamide
CID 60695769
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylpropanamide
CID 61464633
N-cycloheptyl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 60673176
2-(3-ethylpentan-3-ylamino)-N-(2-fluorophenyl)acetamide
CID 65039803
2-[[(1S)-1-cyclohexylethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 81388783

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-fluorophenyl)acetamide (CID 81390056) is 2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-fluorophenyl)acetamide is C[C@H](NCC(=O)Nc1ccccc1F)C1CCCCCC1.
What is the InChIKey of 2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-fluorophenyl)acetamide?
The InChIKey is BAPLRRPOQSNUGI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-13(14-8-4-2-3-5-9-14)19-12-17(21)20-16-11-7-6-10-15(16)18/h6-7,10-11,13-14,19H,2-5,8-9,12H2,1H3,(H,20,21)/t13-/m0/s1.
What are the key properties of 2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-fluorophenyl)acetamide?
2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-fluorophenyl)acetamide has a molecular weight of 292.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 81390056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).