N-[4,5-dichloro-2-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-2-hydroxy-2-methylpropanamide

C14H18Cl2N2O4 — CID 22287352

IUPACN-[4,5-dichloro-2-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)Nc1cc(Cl)c(Cl)cc1NC(=O)C(C)(C)O
InChIInChI=1S/C14H18Cl2N2O4/c1-13(2,21)11(19)17-9-5-7(15)8(16)6-10(9)18-12(20)14(3,4)22/h5-6,21-22H,1-4H3,(H,17,19)(H,18,20)
InChIKeyREYKCGQMLIRHJL-UHFFFAOYSA-N
MW349.21 g/mol
LogP2.41
Rot. Bonds4

About N-[4,5-dichloro-2-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-2-hydroxy-2-methylpropanamide

N-[4,5-dichloro-2-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-2-hydroxy-2-methylpropanamide (PubChem CID 22287352) has the molecular formula C14H18Cl2N2O4 and a molecular weight of 349.21 g/mol. Its IUPAC name is N-[4,5-dichloro-2-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[4,5-dichloro-2-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-2-hydroxy-2-methylpropanamide
PubChem CID22287352
Molecular FormulaC14H18Cl2N2O4
Molecular Weight349.21 g/mol
Exact Mass348.06
IUPAC NameN-[4,5-dichloro-2-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)Nc1cc(Cl)c(Cl)cc1NC(=O)C(C)(C)O
InChIInChI=1S/C14H18Cl2N2O4/c1-13(2,21)11(19)17-9-5-7(15)8(16)6-10(9)18-12(20)14(3,4)22/h5-6,21-22H,1-4H3,(H,17,19)(H,18,20)
InChIKeyREYKCGQMLIRHJL-UHFFFAOYSA-N
XLogP2.41
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 115178540
N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 115178606
N-(2-chloro-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 115178559
2-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)propanamide
CID 104936943
N-(2-chloro-3-iodophenyl)-2-hydroxy-2-methylpropanamide
CID 53255142
N-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide
CID 145284883
2-amino-2-ethyl-N-(2,4,5-trichlorophenyl)butanamide
CID 79809131
N-(5-bromo-3-chloro-4-cyano-2-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 166521800
2-amino-2-cyclopropyl-N-(2,4,5-trichlorophenyl)propanamide
CID 60867137
N-(2-bromo-5-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 103430310
2-[4,5-dichloro-2-(oxaloamino)anilino]-2-oxoacetic acid
CID 15300494
N-(3-acetamidophenyl)-2-hydroxy-2-methylpropanamide
CID 103429382

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dichloro-2-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[4,5-dichloro-2-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-2-hydroxy-2-methylpropanamide (CID 22287352) is N-[4,5-dichloro-2-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[4,5-dichloro-2-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[4,5-dichloro-2-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-2-hydroxy-2-methylpropanamide is CC(C)(O)C(=O)Nc1cc(Cl)c(Cl)cc1NC(=O)C(C)(C)O.
What is the InChIKey of N-[4,5-dichloro-2-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-2-hydroxy-2-methylpropanamide?
The InChIKey is REYKCGQMLIRHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O4/c1-13(2,21)11(19)17-9-5-7(15)8(16)6-10(9)18-12(20)14(3,4)22/h5-6,21-22H,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N-[4,5-dichloro-2-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-2-hydroxy-2-methylpropanamide?
N-[4,5-dichloro-2-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-2-hydroxy-2-methylpropanamide has a molecular weight of 349.21 g/mol, XLogP of 2.41, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dichloro-2-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 22287352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).