N-(2-chloro-5-fluoro-4-methylphenyl)-2-oxopropanamide

C10H9ClFNO2 — CID 115175416

IUPACN-(2-chloro-5-fluoro-4-methylphenyl)-2-oxopropanamide
SMILESCC(=O)C(=O)Nc1cc(F)c(C)cc1Cl
InChIInChI=1S/C10H9ClFNO2/c1-5-3-7(11)9(4-8(5)12)13-10(15)6(2)14/h3-4H,1-2H3,(H,13,15)
InChIKeyGWSCNQIKFNKHNN-UHFFFAOYSA-N
MW229.64 g/mol
LogP2.32
Rot. Bonds2

About N-(2-chloro-5-fluoro-4-methylphenyl)-2-oxopropanamide

N-(2-chloro-5-fluoro-4-methylphenyl)-2-oxopropanamide (PubChem CID 115175416) has the molecular formula C10H9ClFNO2 and a molecular weight of 229.64 g/mol. Its IUPAC name is N-(2-chloro-5-fluoro-4-methylphenyl)-2-oxopropanamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluoro-4-methylphenyl)-2-oxopropanamide
PubChem CID115175416
Molecular FormulaC10H9ClFNO2
Molecular Weight229.64 g/mol
Exact Mass229.03
IUPAC NameN-(2-chloro-5-fluoro-4-methylphenyl)-2-oxopropanamide
SMILESCC(=O)C(=O)Nc1cc(F)c(C)cc1Cl
InChIInChI=1S/C10H9ClFNO2/c1-5-3-7(11)9(4-8(5)12)13-10(15)6(2)14/h3-4H,1-2H3,(H,13,15)
InChIKeyGWSCNQIKFNKHNN-UHFFFAOYSA-N
XLogP2.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.64
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide
CID 115161861
N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxyacetamide
CID 115139648
N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 115178606
N-(2,5-dichloro-4-methylphenyl)acetamide
CID 112703957
2-(2,5-dichloro-4-methylanilino)-2-oxoacetic acid
CID 104727934
3-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)propanamide
CID 130520854
N-(2-chloro-5-fluoro-4-methylphenyl)-3-cyanooxetane-3-carboxamide
CID 115184615
N-(4-fluoro-2-methylphenyl)-2-oxopropanamide
CID 143920338
tert-butyl N-(2-chloro-4-fluoro-5-methylphenyl)carbamate
CID 130520747
N-(2-chloro-4-fluoro-5-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 112734747
ethyl 2-(2-chloro-5-fluoro-4-methylanilino)acetate
CID 115257255
N'-(2-chloro-5-fluoro-4-methylphenyl)methanediamine
CID 115225495

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluoro-4-methylphenyl)-2-oxopropanamide?
The IUPAC name of N-(2-chloro-5-fluoro-4-methylphenyl)-2-oxopropanamide (CID 115175416) is N-(2-chloro-5-fluoro-4-methylphenyl)-2-oxopropanamide.
What is the SMILES notation for N-(2-chloro-5-fluoro-4-methylphenyl)-2-oxopropanamide?
The canonical SMILES for N-(2-chloro-5-fluoro-4-methylphenyl)-2-oxopropanamide is CC(=O)C(=O)Nc1cc(F)c(C)cc1Cl.
What is the InChIKey of N-(2-chloro-5-fluoro-4-methylphenyl)-2-oxopropanamide?
The InChIKey is GWSCNQIKFNKHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO2/c1-5-3-7(11)9(4-8(5)12)13-10(15)6(2)14/h3-4H,1-2H3,(H,13,15).
What are the key properties of N-(2-chloro-5-fluoro-4-methylphenyl)-2-oxopropanamide?
N-(2-chloro-5-fluoro-4-methylphenyl)-2-oxopropanamide has a molecular weight of 229.64 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 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-oxopropanamide is sourced from PubChem (CID 115175416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).