N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide

C15H11Cl2F2NO — CID 7986626

IUPACN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide
SMILESC[C@@H](NC(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2F2NO/c1-8(11-4-2-9(16)6-13(11)17)20-15(21)12-5-3-10(18)7-14(12)19/h2-8H,1H3,(H,20,21)/t8-/m1/s1
InChIKeyYMNNQBUMHMASMK-MRVPVSSYSA-N
MW330.16 g/mol
LogP4.76
Rot. Bonds3

About N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide

N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide (PubChem CID 7986626) has the molecular formula C15H11Cl2F2NO and a molecular weight of 330.16 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide
PubChem CID7986626
Molecular FormulaC15H11Cl2F2NO
Molecular Weight330.16 g/mol
Exact Mass329.02
IUPAC NameN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide
SMILESC[C@@H](NC(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2F2NO/c1-8(11-4-2-9(16)6-13(11)17)20-15(21)12-5-3-10(18)7-14(12)19/h2-8H,1H3,(H,20,21)/t8-/m1/s1
InChIKeyYMNNQBUMHMASMK-MRVPVSSYSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.16
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-4-fluorobenzamide
CID 43079074
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 46591256
[1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate
CID 55375856
4-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-nitrobenzamide
CID 9441513
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
N-[(2S)-1-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 8927833
N-[1-(2,4-dichlorophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 4876390
2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 114370055
2,5-dichloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-4-carboxamide
CID 114917734
N-[1-(2-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzamide
CID 86906510
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]furan-3-carboxamide
CID 106852526

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide (CID 7986626) is N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide is C[C@@H](NC(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide?
The InChIKey is YMNNQBUMHMASMK-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H11Cl2F2NO/c1-8(11-4-2-9(16)6-13(11)17)20-15(21)12-5-3-10(18)7-14(12)19/h2-8H,1H3,(H,20,21)/t8-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide?
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide has a molecular weight of 330.16 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 7986626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).