N-(3-cyanophenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide

C17H14Cl2FN3O — CID 9377550

IUPACN-(3-cyanophenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1cccc(C#N)c1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2FN3O/c1-10(13-6-16(20)15(19)7-14(13)18)22-9-17(24)23-12-4-2-3-11(5-12)8-21/h2-7,10,22H,9H2,1H3,(H,23,24)/t10-/m0/s1
InChIKeyAHBMTGUVTIZZPW-JTQLQIEISA-N
MW366.22 g/mol
LogP4.29
Rot. Bonds5

About N-(3-cyanophenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide

N-(3-cyanophenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide (PubChem CID 9377550) has the molecular formula C17H14Cl2FN3O and a molecular weight of 366.22 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
PubChem CID9377550
Molecular FormulaC17H14Cl2FN3O
Molecular Weight366.22 g/mol
Exact Mass365.05
IUPAC NameN-(3-cyanophenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1cccc(C#N)c1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2FN3O/c1-10(13-6-16(20)15(19)7-14(13)18)22-9-17(24)23-12-4-2-3-11(5-12)8-21/h2-7,10,22H,9H2,1H3,(H,23,24)/t10-/m0/s1
InChIKeyAHBMTGUVTIZZPW-JTQLQIEISA-N
XLogP4.29
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanophenyl)-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377756
N-(3-acetylphenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377442
N-(3-cyanophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369777
3-[[2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]-N-methylbenzamide
CID 8639816
N-(2-cyanophenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377512
N-(4-acetamidophenyl)-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377778
2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(phenylcarbamoyl)acetamide
CID 8639730
N-[2-(cyanomethylsulfanyl)phenyl]-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377300
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 9377633
2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 9377822
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8639848
2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 9377861

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide (CID 9377550) is N-(3-cyanophenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide is C[C@H](NCC(=O)Nc1cccc(C#N)c1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of N-(3-cyanophenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide?
The InChIKey is AHBMTGUVTIZZPW-JTQLQIEISA-N. The full InChI is InChI=1S/C17H14Cl2FN3O/c1-10(13-6-16(20)15(19)7-14(13)18)22-9-17(24)23-12-4-2-3-11(5-12)8-21/h2-7,10,22H,9H2,1H3,(H,23,24)/t10-/m0/s1.
What are the key properties of N-(3-cyanophenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide?
N-(3-cyanophenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide has a molecular weight of 366.22 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 9377550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).