N-(3-aminobutyl)-2-(2-chloro-6-fluorophenyl)acetamide

C12H16ClFN2O — CID 63253339

IUPACN-(3-aminobutyl)-2-(2-chloro-6-fluorophenyl)acetamide
SMILESCC(N)CCNC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H16ClFN2O/c1-8(15)5-6-16-12(17)7-9-10(13)3-2-4-11(9)14/h2-4,8H,5-7,15H2,1H3,(H,16,17)
InChIKeyWUBMRQCANIXLGO-UHFFFAOYSA-N
MW258.72 g/mol
LogP1.88
Rot. Bonds5

About N-(3-aminobutyl)-2-(2-chloro-6-fluorophenyl)acetamide

N-(3-aminobutyl)-2-(2-chloro-6-fluorophenyl)acetamide (PubChem CID 63253339) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-(2-chloro-6-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-(2-chloro-6-fluorophenyl)acetamide
PubChem CID63253339
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC NameN-(3-aminobutyl)-2-(2-chloro-6-fluorophenyl)acetamide
SMILESCC(N)CCNC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H16ClFN2O/c1-8(15)5-6-16-12(17)7-9-10(13)3-2-4-11(9)14/h2-4,8H,5-7,15H2,1H3,(H,16,17)
InChIKeyWUBMRQCANIXLGO-UHFFFAOYSA-N
XLogP1.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methylpentanoic acid
CID 104682499
2-(2-chloro-6-fluorophenyl)-N-(5-chloro-4-methylpentyl)acetamide
CID 106156758
N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81483240
2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 132964109
4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-methylbutanoic acid
CID 81063329
2-(2-chloro-6-fluorophenyl)-N-(5-iodopentyl)acetamide
CID 107322545
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-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2575382
2-(2-chloro-6-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2575385
2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43391266
2-(2-chloro-6-fluorophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 113258587

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-(2-chloro-6-fluorophenyl)acetamide?
The IUPAC name of N-(3-aminobutyl)-2-(2-chloro-6-fluorophenyl)acetamide (CID 63253339) is N-(3-aminobutyl)-2-(2-chloro-6-fluorophenyl)acetamide.
What is the SMILES notation for N-(3-aminobutyl)-2-(2-chloro-6-fluorophenyl)acetamide?
The canonical SMILES for N-(3-aminobutyl)-2-(2-chloro-6-fluorophenyl)acetamide is CC(N)CCNC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of N-(3-aminobutyl)-2-(2-chloro-6-fluorophenyl)acetamide?
The InChIKey is WUBMRQCANIXLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-8(15)5-6-16-12(17)7-9-10(13)3-2-4-11(9)14/h2-4,8H,5-7,15H2,1H3,(H,16,17).
What are the key properties of N-(3-aminobutyl)-2-(2-chloro-6-fluorophenyl)acetamide?
N-(3-aminobutyl)-2-(2-chloro-6-fluorophenyl)acetamide has a molecular weight of 258.72 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-(2-chloro-6-fluorophenyl)acetamide is sourced from PubChem (CID 63253339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).