2-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide

C13H18F2N2O — CID 120652869

IUPAC2-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide
SMILESCCN[C@H](C)CNC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-3-16-9(2)8-17-13(18)7-10-4-5-11(14)12(15)6-10/h4-6,9,16H,3,7-8H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyZHQLILSASRBFLK-SECBINFHSA-N
MW256.30 g/mol
LogP1.62
Rot. Bonds6

About 2-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide

2-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide (PubChem CID 120652869) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide
PubChem CID120652869
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide
SMILESCCN[C@H](C)CNC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-3-16-9(2)8-17-13(18)7-10-4-5-11(14)12(15)6-10/h4-6,9,16H,3,7-8H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyZHQLILSASRBFLK-SECBINFHSA-N
XLogP1.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]-4-oxobutanamide
CID 120651525
2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120650056
methyl 3-[[2-(3,4-difluorophenyl)acetyl]amino]-2-iodopropanoate
CID 103493208
N-[(2R)-2-(ethylamino)propyl]-2-(3-iodophenyl)acetamide;hydrochloride
CID 120652816
1-(3,4-difluorophenyl)-N-ethylpropan-2-amine
CID 24936146
N-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide
CID 120651737
N-[(2R)-2-(ethylamino)propyl]-2-fluoro-5-methylbenzamide
CID 120654085
5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride
CID 120651308
N-[2-(2-bromoethyl)pentyl]-2-(3,4-difluorophenyl)acetamide
CID 106117964
N-(3-chlorobutyl)-2-(3,4-difluorophenyl)acetamide
CID 114301835
N-(4-aminopentyl)-2-(3,4-difluorophenyl)acetamide
CID 106122221
2-(3-chloro-4-fluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120653969

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide (CID 120652869) is 2-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide is CCN[C@H](C)CNC(=O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide?
The InChIKey is ZHQLILSASRBFLK-SECBINFHSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-3-16-9(2)8-17-13(18)7-10-4-5-11(14)12(15)6-10/h4-6,9,16H,3,7-8H2,1-2H3,(H,17,18)/t9-/m1/s1.
What are the key properties of 2-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide?
2-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide has a molecular weight of 256.30 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide is sourced from PubChem (CID 120652869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).