2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-4-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonyl]amino]acetic acid

C18H14Cl2F3N3O6 — CID 58238058

IUPAC2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-4-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c(C(=O)NCc2ccc(Cl)c(Cl)c2)cn(CC(F)(F)F)c1=O
InChIInChI=1S/C18H14Cl2F3N3O6/c19-10-2-1-8(3-11(10)20)4-24-15(30)9-6-26(7-18(21,22)23)17(32)13(14(9)29)16(31)25-5-12(27)28/h1-3,6,29H,4-5,7H2,(H,24,30)(H,25,31)(H,27,28)
InChIKeyQEDKBRCXNXTITA-UHFFFAOYSA-N
MW496.23 g/mol
LogP2.17
Rot. Bonds7

About 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-4-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonyl]amino]acetic acid

2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-4-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonyl]amino]acetic acid (PubChem CID 58238058) has the molecular formula C18H14Cl2F3N3O6 and a molecular weight of 496.23 g/mol. Its IUPAC name is 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-4-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-4-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonyl]amino]acetic acid
PubChem CID58238058
Molecular FormulaC18H14Cl2F3N3O6
Molecular Weight496.23 g/mol
Exact Mass495.02
IUPAC Name2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-4-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c(C(=O)NCc2ccc(Cl)c(Cl)c2)cn(CC(F)(F)F)c1=O
InChIInChI=1S/C18H14Cl2F3N3O6/c19-10-2-1-8(3-11(10)20)4-24-15(30)9-6-26(7-18(21,22)23)17(32)13(14(9)29)16(31)25-5-12(27)28/h1-3,6,29H,4-5,7H2,(H,24,30)(H,25,31)(H,27,28)
InChIKeyQEDKBRCXNXTITA-UHFFFAOYSA-N
XLogP2.17
TPSA137.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.23
LogP ≤ 52.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-4-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-[[1-[(4-bromo-2-fluorophenyl)methyl]-5-[(3,4-dichlorophenyl)methylcarbamoyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
CID 58238158
2-[[1-[(3,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-5,7-dihydrothieno[3,4-b]pyridine-3-carbonyl]amino]acetic acid
CID 54747856
2-[[1-benzyl-4-hydroxy-5-(naphthalen-1-ylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid
CID 58238083
N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 2727206
N-[(3,4-dichlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 4159508
2,6-dichloro-4-[(3,4-dichlorophenyl)methylcarbamoyl]benzoic acid
CID 157035965
2-[[1-[(4-tert-butylphenyl)methyl]-7-chloro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 54685209
2-[[4-hydroxy-2-oxo-1-(2,2,2-trifluoroethoxy)quinoline-3-carbonyl]amino]acetic acid
CID 118451781
3-[(3,4-dichlorophenyl)methylcarbamoyl]-2-methoxybenzoic acid
CID 70676769
tert-butyl N-[[2-chloro-6-[(3,4-dichlorophenyl)methylcarbamoyl]-4-pyridinyl]methyl]carbamate
CID 146388370
1-cyclohexyl-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxamide
CID 67104932
(3,4-dichlorophenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate
CID 31864850

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-4-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-4-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonyl]amino]acetic acid (CID 58238058) is 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-4-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-4-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-4-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)c(C(=O)NCc2ccc(Cl)c(Cl)c2)cn(CC(F)(F)F)c1=O.
What is the InChIKey of 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-4-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonyl]amino]acetic acid?
The InChIKey is QEDKBRCXNXTITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2F3N3O6/c19-10-2-1-8(3-11(10)20)4-24-15(30)9-6-26(7-18(21,22)23)17(32)13(14(9)29)16(31)25-5-12(27)28/h1-3,6,29H,4-5,7H2,(H,24,30)(H,25,31)(H,27,28).
What are the key properties of 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-4-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonyl]amino]acetic acid?
2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-4-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonyl]amino]acetic acid has a molecular weight of 496.23 g/mol, XLogP of 2.17, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-4-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 58238058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).