N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-fluorobenzamide

C15H11Cl2FN2O2 — CID 113001247

IUPACN-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-fluorobenzamide
SMILESO=C(CNC(=O)c1cccc(F)c1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2FN2O2/c16-10-4-5-13(12(17)7-10)20-14(21)8-19-15(22)9-2-1-3-11(18)6-9/h1-7H,8H2,(H,19,22)(H,20,21)
InChIKeySUCPRZQBVQZUCH-UHFFFAOYSA-N
MW341.17 g/mol
LogP3.50
Rot. Bonds4

About N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-fluorobenzamide

N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-fluorobenzamide (PubChem CID 113001247) has the molecular formula C15H11Cl2FN2O2 and a molecular weight of 341.17 g/mol. Its IUPAC name is N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-fluorobenzamide
PubChem CID113001247
Molecular FormulaC15H11Cl2FN2O2
Molecular Weight341.17 g/mol
Exact Mass340.02
IUPAC NameN-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-fluorobenzamide
SMILESO=C(CNC(=O)c1cccc(F)c1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2FN2O2/c16-10-4-5-13(12(17)7-10)20-14(21)8-19-15(22)9-2-1-3-11(18)6-9/h1-7H,8H2,(H,19,22)(H,20,21)
InChIKeySUCPRZQBVQZUCH-UHFFFAOYSA-N
XLogP3.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-3-fluorobenzamide
CID 113001009
3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 2113466
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662788
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113001259
3-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
CID 34231408
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-3-methylbenzamide
CID 26666234
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-methylbenzamide
CID 9165041
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2,6-difluorobenzamide
CID 86865949
N-[2-(3-aminopropanoylamino)-4-chlorophenyl]-3-fluorobenzamide
CID 82034776
N-(4-chloro-2-methylphenyl)-3-fluorobenzamide
CID 2671206
N-(2,4-dichlorophenyl)-2-(2,6-difluoroanilino)acetamide
CID 78822630
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-fluorobenzamide
CID 113001652

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-fluorobenzamide (CID 113001247) is N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-fluorobenzamide is O=C(CNC(=O)c1cccc(F)c1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-fluorobenzamide?
The InChIKey is SUCPRZQBVQZUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN2O2/c16-10-4-5-13(12(17)7-10)20-14(21)8-19-15(22)9-2-1-3-11(18)6-9/h1-7H,8H2,(H,19,22)(H,20,21).
What are the key properties of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-fluorobenzamide?
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-fluorobenzamide has a molecular weight of 341.17 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-fluorobenzamide is sourced from PubChem (CID 113001247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).