2-amino-N-[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl]acetamide

C10H8F5N3O2 — CID 115564486

IUPAC2-amino-N-[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl]acetamide
SMILESNCC(=O)NCC(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H8F5N3O2/c11-5-6(12)8(14)10(9(15)7(5)13)18-4(20)2-17-3(19)1-16/h1-2,16H2,(H,17,19)(H,18,20)
InChIKeyCQWDCUYUUOODQA-UHFFFAOYSA-N
MW297.18 g/mol
LogP0.40
Rot. Bonds4

About 2-amino-N-[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl]acetamide

2-amino-N-[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl]acetamide (PubChem CID 115564486) has the molecular formula C10H8F5N3O2 and a molecular weight of 297.18 g/mol. Its IUPAC name is 2-amino-N-[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl]acetamide
PubChem CID115564486
Molecular FormulaC10H8F5N3O2
Molecular Weight297.18 g/mol
Exact Mass297.05
IUPAC Name2-amino-N-[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl]acetamide
SMILESNCC(=O)NCC(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H8F5N3O2/c11-5-6(12)8(14)10(9(15)7(5)13)18-4(20)2-17-3(19)1-16/h1-2,16H2,(H,17,19)(H,18,20)
InChIKeyCQWDCUYUUOODQA-UHFFFAOYSA-N
XLogP0.40
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,3,4,5,6-pentafluorophenyl)-2-(propan-2-ylamino)acetamide
CID 78907367
4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid
CID 82830278
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 170308357
2-amino-N-[2-(3,5-dimethylanilino)-2-oxoethyl]acetamide
CID 60848808
2-amino-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]acetamide
CID 60848088
3-amino-3-hydroxyimino-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 115564784
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-bromobenzoic acid
CID 63113236
2-amino-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
CID 60848322
2-amino-N-[2-(2-hydroxy-6-nitroanilino)-2-oxoethyl]acetamide
CID 107681048
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]acetamide
CID 60848997
2-[(2-aminoacetyl)amino]acetic acid;2,2,2-trifluoroacetic acid
CID 131726212
2-amino-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]acetamide
CID 130157493

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl]acetamide (CID 115564486) is 2-amino-N-[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl]acetamide is NCC(=O)NCC(=O)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-amino-N-[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl]acetamide?
The InChIKey is CQWDCUYUUOODQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5N3O2/c11-5-6(12)8(14)10(9(15)7(5)13)18-4(20)2-17-3(19)1-16/h1-2,16H2,(H,17,19)(H,18,20).
What are the key properties of 2-amino-N-[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl]acetamide?
2-amino-N-[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl]acetamide has a molecular weight of 297.18 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl]acetamide is sourced from PubChem (CID 115564486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).