2-(2-ethylhexylamino)-N-(3-fluorophenyl)acetamide

C16H25FN2O — CID 103601437

IUPAC2-(2-ethylhexylamino)-N-(3-fluorophenyl)acetamide
SMILESCCCCC(CC)CNCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H25FN2O/c1-3-5-7-13(4-2)11-18-12-16(20)19-15-9-6-8-14(17)10-15/h6,8-10,13,18H,3-5,7,11-12H2,1-2H3,(H,19,20)
InChIKeyOHFZXTBZJMSOAW-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.57
Rot. Bonds9

About 2-(2-ethylhexylamino)-N-(3-fluorophenyl)acetamide

2-(2-ethylhexylamino)-N-(3-fluorophenyl)acetamide (PubChem CID 103601437) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(2-ethylhexylamino)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-ethylhexylamino)-N-(3-fluorophenyl)acetamide
PubChem CID103601437
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name2-(2-ethylhexylamino)-N-(3-fluorophenyl)acetamide
SMILESCCCCC(CC)CNCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H25FN2O/c1-3-5-7-13(4-2)11-18-12-16(20)19-15-9-6-8-14(17)10-15/h6,8-10,13,18H,3-5,7,11-12H2,1-2H3,(H,19,20)
InChIKeyOHFZXTBZJMSOAW-UHFFFAOYSA-N
XLogP3.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-ethylhexyl]-N'-(3-fluorophenyl)oxamide
CID 2291432
N-(3-fluorophenyl)-2-(2-methylbutylamino)acetamide
CID 55108758
2-(2-ethylhexylamino)-4-(3-fluoroanilino)-4-oxobutanoic acid
CID 18886235
N-(3-fluorophenyl)-2-(octylamino)acetamide
CID 78914397
1-(2-ethylhexyl)-3-(3-fluorophenyl)thiourea
CID 19651728
N-(3-fluorophenyl)-2-(octan-2-ylamino)acetamide
CID 60689776
2-[(3,3-difluoro-2-hydroxypropyl)amino]-N-(3-fluorophenyl)acetamide
CID 114093423
N-ethyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]acetamide
CID 43401714
N-(3-fluorophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745242
N-(5-chloro-2-methylphenyl)-2-(2-ethylhexylamino)acetamide
CID 103601419
2-ethyl-N-[2-(3-fluorophenyl)ethyl]hexan-1-amine
CID 63488379
N-(3-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide
CID 54954669

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexylamino)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(2-ethylhexylamino)-N-(3-fluorophenyl)acetamide (CID 103601437) is 2-(2-ethylhexylamino)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-ethylhexylamino)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-ethylhexylamino)-N-(3-fluorophenyl)acetamide is CCCCC(CC)CNCC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-(2-ethylhexylamino)-N-(3-fluorophenyl)acetamide?
The InChIKey is OHFZXTBZJMSOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-5-7-13(4-2)11-18-12-16(20)19-15-9-6-8-14(17)10-15/h6,8-10,13,18H,3-5,7,11-12H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-ethylhexylamino)-N-(3-fluorophenyl)acetamide?
2-(2-ethylhexylamino)-N-(3-fluorophenyl)acetamide has a molecular weight of 280.39 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexylamino)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 103601437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).