N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropanamide

C11H13ClFNO2 — CID 115178606

IUPACN-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropanamide
SMILESCc1cc(Cl)c(NC(=O)C(C)(C)O)cc1F
InChIInChI=1S/C11H13ClFNO2/c1-6-4-7(12)9(5-8(6)13)14-10(15)11(2,3)16/h4-5,16H,1-3H3,(H,14,15)
InChIKeyOOJOUWGHFZSGPF-UHFFFAOYSA-N
MW245.68 g/mol
LogP2.50
Rot. Bonds2

About N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropanamide

N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropanamide (PubChem CID 115178606) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropanamide
PubChem CID115178606
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC NameN-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropanamide
SMILESCc1cc(Cl)c(NC(=O)C(C)(C)O)cc1F
InChIInChI=1S/C11H13ClFNO2/c1-6-4-7(12)9(5-8(6)13)14-10(15)11(2,3)16/h4-5,16H,1-3H3,(H,14,15)
InChIKeyOOJOUWGHFZSGPF-UHFFFAOYSA-N
XLogP2.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-5-fluoro-4-methylphenyl)-2-oxopropanamide
CID 115175416
2-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)propanamide
CID 104936943
2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide
CID 115161861
N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxyacetamide
CID 115139648
N-[4,5-dichloro-2-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-2-hydroxy-2-methylpropanamide
CID 22287352
tert-butyl N-(2-chloro-4-fluoro-5-methylphenyl)carbamate
CID 130520747
1-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropan-1-one
CID 116920451
3-(2,5-dichloro-4-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 104727936
N-(5-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 115178540
ethyl 2-(2-chloro-5-fluoro-4-methylanilino)acetate
CID 115257255
N'-(2-chloro-5-fluoro-4-methylphenyl)methanediamine
CID 115225495
2-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropanehydrazide
CID 116844099

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropanamide (CID 115178606) is N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropanamide is Cc1cc(Cl)c(NC(=O)C(C)(C)O)cc1F.
What is the InChIKey of N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropanamide?
The InChIKey is OOJOUWGHFZSGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-6-4-7(12)9(5-8(6)13)14-10(15)11(2,3)16/h4-5,16H,1-3H3,(H,14,15).
What are the key properties of N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropanamide?
N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropanamide has a molecular weight of 245.68 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 115178606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).