N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide

C17H16ClFN2O2 — CID 112998255

IUPACN-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2ccccc2F)c(Cl)c1
InChIInChI=1S/C17H16ClFN2O2/c1-10-7-11(2)16(13(18)8-10)21-15(22)9-20-17(23)12-5-3-4-6-14(12)19/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyCCNXPYRIHZPKGX-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.46
Rot. Bonds4

About N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide

N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide (PubChem CID 112998255) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide
PubChem CID112998255
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC NameN-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2ccccc2F)c(Cl)c1
InChIInChI=1S/C17H16ClFN2O2/c1-10-7-11(2)16(13(18)8-10)21-15(22)9-20-17(23)12-5-3-4-6-14(12)19/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyCCNXPYRIHZPKGX-UHFFFAOYSA-N
XLogP3.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008818
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112998293
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 26682013
4-bromo-N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]benzamide
CID 112998260
2-iodo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713928
2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 3424482
2-(2-chloro-4,6-dimethylanilino)-N-(2-fluorophenyl)acetamide
CID 42125159
N-(2-chloro-4,6-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 112998277
N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113019042
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 35930552
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide
CID 112998242

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide (CID 112998255) is N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide is Cc1cc(C)c(NC(=O)CNC(=O)c2ccccc2F)c(Cl)c1.
What is the InChIKey of N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is CCNXPYRIHZPKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c1-10-7-11(2)16(13(18)8-10)21-15(22)9-20-17(23)12-5-3-4-6-14(12)19/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide?
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 334.78 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 112998255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).