N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2,2,2-trifluoroacetamide

C10H9F4N3O2 — CID 39184054

IUPACN-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2,2,2-trifluoroacetamide
SMILESNCC(=O)Nc1cc(F)ccc1NC(=O)C(F)(F)F
InChIInChI=1S/C10H9F4N3O2/c11-5-1-2-6(17-9(19)10(12,13)14)7(3-5)16-8(18)4-15/h1-3H,4,15H2,(H,16,18)(H,17,19)
InChIKeyPWOUKBNXRLATBN-UHFFFAOYSA-N
MW279.19 g/mol
LogP1.22
Rot. Bonds3

About N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2,2,2-trifluoroacetamide

N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2,2,2-trifluoroacetamide (PubChem CID 39184054) has the molecular formula C10H9F4N3O2 and a molecular weight of 279.19 g/mol. Its IUPAC name is N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2,2,2-trifluoroacetamide
PubChem CID39184054
Molecular FormulaC10H9F4N3O2
Molecular Weight279.19 g/mol
Exact Mass279.06
IUPAC NameN-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2,2,2-trifluoroacetamide
SMILESNCC(=O)Nc1cc(F)ccc1NC(=O)C(F)(F)F
InChIInChI=1S/C10H9F4N3O2/c11-5-1-2-6(17-9(19)10(12,13)14)7(3-5)16-8(18)4-15/h1-3H,4,15H2,(H,16,18)(H,17,19)
InChIKeyPWOUKBNXRLATBN-UHFFFAOYSA-N
XLogP1.22
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.19
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-amino-5-fluorophenyl)acetamide
CID 110477650
N-[2-(3-aminopropanoylamino)-4-fluorophenyl]-2,2-dimethylpropanamide
CID 82034298
2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride
CID 119856698
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155
2-amino-N-[5-fluoro-2-[(2-phenoxyacetyl)amino]phenyl]acetamide
CID 39183990
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-4-chlorobenzamide
CID 39184018
2,2,2-trifluoro-N-(5-fluoro-2-hydroxyphenyl)acetamide
CID 15688157
N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide
CID 103646595
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-(4-methylphenyl)propanamide
CID 39184050
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-phenoxypropanamide
CID 39183994
2-amino-N-(2-amino-5-fluorophenyl)acetamide;2-methylpropane
CID 142142758
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]pyridine-3-carboxamide
CID 39184022

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2,2,2-trifluoroacetamide (CID 39184054) is N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2,2,2-trifluoroacetamide is NCC(=O)Nc1cc(F)ccc1NC(=O)C(F)(F)F.
What is the InChIKey of N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2,2,2-trifluoroacetamide?
The InChIKey is PWOUKBNXRLATBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4N3O2/c11-5-1-2-6(17-9(19)10(12,13)14)7(3-5)16-8(18)4-15/h1-3H,4,15H2,(H,16,18)(H,17,19).
What are the key properties of N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2,2,2-trifluoroacetamide?
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2,2,2-trifluoroacetamide has a molecular weight of 279.19 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 39184054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).