2-[1-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)propanamide

C17H17ClF2N2O — CID 46667108

IUPAC2-[1-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)propanamide
SMILESCC(NC(C)c1cccc(Cl)c1)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H17ClF2N2O/c1-10(12-5-3-6-13(18)9-12)21-11(2)17(23)22-16-14(19)7-4-8-15(16)20/h3-11,21H,1-2H3,(H,22,23)
InChIKeyXMQSSCHKGUKUMD-UHFFFAOYSA-N
MW338.79 g/mol
LogP4.30
Rot. Bonds5

About 2-[1-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)propanamide

2-[1-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)propanamide (PubChem CID 46667108) has the molecular formula C17H17ClF2N2O and a molecular weight of 338.79 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)propanamide
PubChem CID46667108
Molecular FormulaC17H17ClF2N2O
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC Name2-[1-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)propanamide
SMILESCC(NC(C)c1cccc(Cl)c1)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H17ClF2N2O/c1-10(12-5-3-6-13(18)9-12)21-11(2)17(23)22-16-14(19)7-4-8-15(16)20/h3-11,21H,1-2H3,(H,22,23)
InChIKeyXMQSSCHKGUKUMD-UHFFFAOYSA-N
XLogP4.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-[1-(3-chlorophenyl)ethylamino]propanamide
CID 78636483
2-[1-(3-chlorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51243791
2-[1-(3-chlorophenyl)ethylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 112810915
(2R)-2-(benzhydrylamino)-N-(2,6-difluorophenyl)propanamide
CID 9445859
(2R)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307505
(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307503
N-butan-2-yl-2-[1-(3-chlorophenyl)ethylamino]propanamide
CID 60719366
2-[1-(3-chlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide
CID 51243795
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylpropanamide
CID 81371173
2-[1-(3-chlorophenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 45281792
(1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81365988

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)propanamide?
The IUPAC name of 2-[1-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)propanamide (CID 46667108) is 2-[1-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)propanamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)propanamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)propanamide is CC(NC(C)c1cccc(Cl)c1)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of 2-[1-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)propanamide?
The InChIKey is XMQSSCHKGUKUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2N2O/c1-10(12-5-3-6-13(18)9-12)21-11(2)17(23)22-16-14(19)7-4-8-15(16)20/h3-11,21H,1-2H3,(H,22,23).
What are the key properties of 2-[1-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)propanamide?
2-[1-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)propanamide has a molecular weight of 338.79 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)propanamide is sourced from PubChem (CID 46667108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).