N-[1-(3-aminophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide

C16H16ClFN2O — CID 43297617

IUPACN-[1-(3-aminophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESCC(NC(=O)Cc1c(F)cccc1Cl)c1cccc(N)c1
InChIInChI=1S/C16H16ClFN2O/c1-10(11-4-2-5-12(19)8-11)20-16(21)9-13-14(17)6-3-7-15(13)18/h2-8,10H,9,19H2,1H3,(H,20,21)
InChIKeyUJJRNUWVUJVTRR-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.48
Rot. Bonds4

About N-[1-(3-aminophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide

N-[1-(3-aminophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide (PubChem CID 43297617) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
PubChem CID43297617
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC NameN-[1-(3-aminophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESCC(NC(=O)Cc1c(F)cccc1Cl)c1cccc(N)c1
InChIInChI=1S/C16H16ClFN2O/c1-10(11-4-2-5-12(19)8-11)20-16(21)9-13-14(17)6-3-7-15(13)18/h2-8,10H,9,19H2,1H3,(H,20,21)
InChIKeyUJJRNUWVUJVTRR-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 42998538
2-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 839132
2-(2-chloro-6-fluorophenyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 55611461
N-[1-(3-aminophenyl)ethyl]-2-(3-chlorophenyl)acetamide
CID 62504759
2-(2-chloro-6-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide
CID 46588092
2-(2-chloro-6-fluorophenyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 55653646
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2435833
N-[(2S)-1-aminopropan-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide;hydrochloride
CID 120505968
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 9366156
[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718188
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718405
2-(2-chloro-6-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide
CID 39951192

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide (CID 43297617) is N-[1-(3-aminophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide is CC(NC(=O)Cc1c(F)cccc1Cl)c1cccc(N)c1.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The InChIKey is UJJRNUWVUJVTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-10(11-4-2-5-12(19)8-11)20-16(21)9-13-14(17)6-3-7-15(13)18/h2-8,10H,9,19H2,1H3,(H,20,21).
What are the key properties of N-[1-(3-aminophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide?
N-[1-(3-aminophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide has a molecular weight of 306.77 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide is sourced from PubChem (CID 43297617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).