N-(5-chloro-2-fluorophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide

C16H15Cl2FN2O — CID 9306583

IUPACN-(5-chloro-2-fluorophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1cc(Cl)ccc1F)c1ccccc1Cl
InChIInChI=1S/C16H15Cl2FN2O/c1-10(12-4-2-3-5-13(12)18)20-9-16(22)21-15-8-11(17)6-7-14(15)19/h2-8,10,20H,9H2,1H3,(H,21,22)/t10-/m0/s1
InChIKeyXRQDUAPXWBRLDU-JTQLQIEISA-N
MW341.21 g/mol
LogP4.42
Rot. Bonds5

About N-(5-chloro-2-fluorophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide

N-(5-chloro-2-fluorophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide (PubChem CID 9306583) has the molecular formula C16H15Cl2FN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
PubChem CID9306583
Molecular FormulaC16H15Cl2FN2O
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1cc(Cl)ccc1F)c1ccccc1Cl
InChIInChI=1S/C16H15Cl2FN2O/c1-10(12-4-2-3-5-13(12)18)20-9-16(22)21-15-8-11(17)6-7-14(15)19/h2-8,10,20H,9H2,1H3,(H,21,22)/t10-/m0/s1
InChIKeyXRQDUAPXWBRLDU-JTQLQIEISA-N
XLogP4.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 9306788
N-(5-chloro-2-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306731
N-(5-chloro-2-methoxyphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9307080
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9307279
N-(2,4-dichlorophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086055
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9306767
N-(2-chlorophenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9253950
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 9306757
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9307246
2-[1-(2-chlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide
CID 51171749
2-[1-(2-chlorophenyl)ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 18085946
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-pentan-3-ylacetamide
CID 81377630

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide (CID 9306583) is N-(5-chloro-2-fluorophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide is C[C@H](NCC(=O)Nc1cc(Cl)ccc1F)c1ccccc1Cl.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide?
The InChIKey is XRQDUAPXWBRLDU-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15Cl2FN2O/c1-10(12-4-2-3-5-13(12)18)20-9-16(22)21-15-8-11(17)6-7-14(15)19/h2-8,10,20H,9H2,1H3,(H,21,22)/t10-/m0/s1.
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide?
N-(5-chloro-2-fluorophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide has a molecular weight of 341.21 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 9306583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).