2-[[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]acetamide

C12H14Cl2FN3O2 — CID 8639839

IUPAC2-[[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]acetamide
SMILESC[C@@H](NCC(=O)NCC(N)=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2FN3O2/c1-6(17-5-12(20)18-4-11(16)19)7-2-10(15)9(14)3-8(7)13/h2-3,6,17H,4-5H2,1H3,(H2,16,19)(H,18,20)/t6-/m1/s1
InChIKeyFZVBTSVSUNZAMG-ZCFIWIBFSA-N
MW322.17 g/mol
LogP1.38
Rot. Bonds6

About 2-[[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]acetamide

2-[[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]acetamide (PubChem CID 8639839) has the molecular formula C12H14Cl2FN3O2 and a molecular weight of 322.17 g/mol. Its IUPAC name is 2-[[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]acetamide
PubChem CID8639839
Molecular FormulaC12H14Cl2FN3O2
Molecular Weight322.17 g/mol
Exact Mass321.04
IUPAC Name2-[[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]acetamide
SMILESC[C@@H](NCC(=O)NCC(N)=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2FN3O2/c1-6(17-5-12(20)18-4-11(16)19)7-2-10(15)9(14)3-8(7)13/h2-3,6,17H,4-5H2,1H3,(H2,16,19)(H,18,20)/t6-/m1/s1
InChIKeyFZVBTSVSUNZAMG-ZCFIWIBFSA-N
XLogP1.38
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
methyl 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]acetate
CID 43228865
5-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]pentanamide
CID 103529766
N-(4-acetamidophenyl)-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377778
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9377837
2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(phenylcarbamoyl)acetamide
CID 8639730
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
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 9377633
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 26602537
[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]azanium
CID 8639847

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]acetamide?
The IUPAC name of 2-[[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]acetamide (CID 8639839) is 2-[[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]acetamide.
What is the SMILES notation for 2-[[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]acetamide?
The canonical SMILES for 2-[[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]acetamide is C[C@@H](NCC(=O)NCC(N)=O)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2-[[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]acetamide?
The InChIKey is FZVBTSVSUNZAMG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C12H14Cl2FN3O2/c1-6(17-5-12(20)18-4-11(16)19)7-2-10(15)9(14)3-8(7)13/h2-3,6,17H,4-5H2,1H3,(H2,16,19)(H,18,20)/t6-/m1/s1.
What are the key properties of 2-[[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]acetamide?
2-[[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]acetamide has a molecular weight of 322.17 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]acetamide is sourced from PubChem (CID 8639839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).