2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)acetamide

C16H17ClFN3O — CID 75497285

IUPAC2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(NCC(=O)NCc1cccnc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H17ClFN3O/c1-11(13-4-5-15(18)14(17)7-13)20-10-16(22)21-9-12-3-2-6-19-8-12/h2-8,11,20H,9-10H2,1H3,(H,21,22)
InChIKeyONFYNHZFKXCUDU-UHFFFAOYSA-N
MW321.78 g/mol
LogP2.84
Rot. Bonds6

About 2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)acetamide

2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 75497285) has the molecular formula C16H17ClFN3O and a molecular weight of 321.78 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID75497285
Molecular FormulaC16H17ClFN3O
Molecular Weight321.78 g/mol
Exact Mass321.10
IUPAC Name2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(NCC(=O)NCc1cccnc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H17ClFN3O/c1-11(13-4-5-15(18)14(17)7-13)20-10-16(22)21-9-12-3-2-6-19-8-12/h2-8,11,20H,9-10H2,1H3,(H,21,22)
InChIKeyONFYNHZFKXCUDU-UHFFFAOYSA-N
XLogP2.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9377009
N-[(4-chlorophenyl)methyl]-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376233
2-[[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 97333628
2-fluoro-4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenol
CID 29039016
N-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine
CID 43200174
3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 45142910
1-[(3-chloro-4-fluorophenyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 95307063
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 9307726
1-(3-fluoro-4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 75482348
methyl 2-[1-(3-chloro-4-fluorophenyl)ethylamino]acetate
CID 43200173
1-(3-chloro-4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 81344921
2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 112993068

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)acetamide (CID 75497285) is 2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)acetamide is CC(NCC(=O)NCc1cccnc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is ONFYNHZFKXCUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O/c1-11(13-4-5-15(18)14(17)7-13)20-10-16(22)21-9-12-3-2-6-19-8-12/h2-8,11,20H,9-10H2,1H3,(H,21,22).
What are the key properties of 2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)acetamide?
2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 321.78 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 75497285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).