N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide

C17H15Cl2FN2O2 — CID 9441430

IUPACN-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide
SMILESC[C@H](NC(=O)CNC(=O)c1ccccc1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2FN2O2/c1-10(12-7-6-11(18)8-14(12)19)22-16(23)9-21-17(24)13-4-2-3-5-15(13)20/h2-8,10H,9H2,1H3,(H,21,24)(H,22,23)/t10-/m0/s1
InChIKeyGYASCCCCOISHFD-JTQLQIEISA-N
MW369.22 g/mol
LogP3.74
Rot. Bonds5

About N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide

N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide (PubChem CID 9441430) has the molecular formula C17H15Cl2FN2O2 and a molecular weight of 369.22 g/mol. Its IUPAC name is N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide
PubChem CID9441430
Molecular FormulaC17H15Cl2FN2O2
Molecular Weight369.22 g/mol
Exact Mass368.05
IUPAC NameN-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide
SMILESC[C@H](NC(=O)CNC(=O)c1ccccc1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2FN2O2/c1-10(12-7-6-11(18)8-14(12)19)22-16(23)9-21-17(24)13-4-2-3-5-15(13)20/h2-8,10H,9H2,1H3,(H,21,24)(H,22,23)/t10-/m0/s1
InChIKeyGYASCCCCOISHFD-JTQLQIEISA-N
XLogP3.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 8927833
N-[2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 26752505
2,4-dichloro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 51164454
N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9441486
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(phenylcarbamoylamino)acetamide
CID 25483366
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2515584
2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 40623473
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8897863
N-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-2-fluorobenzamide
CID 4845951
2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9218518
2-chloro-N-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9164728
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 26682013

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide (CID 9441430) is N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide is C[C@H](NC(=O)CNC(=O)c1ccccc1F)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is GYASCCCCOISHFD-JTQLQIEISA-N. The full InChI is InChI=1S/C17H15Cl2FN2O2/c1-10(12-7-6-11(18)8-14(12)19)22-16(23)9-21-17(24)13-4-2-3-5-15(13)20/h2-8,10H,9H2,1H3,(H,21,24)(H,22,23)/t10-/m0/s1.
What are the key properties of N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide?
N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 369.22 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 9441430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).