N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide

C16H12Cl2F2N2O3 — CID 60599190

IUPACN-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1c(O)cc(F)cc1F
InChIInChI=1S/C16H12Cl2F2N2O3/c1-22(16(25)15-12(20)4-8(19)5-13(15)23)7-14(24)21-9-2-3-10(17)11(18)6-9/h2-6,23H,7H2,1H3,(H,21,24)
InChIKeyHTISHQZWKJIUBB-UHFFFAOYSA-N
MW389.19 g/mol
LogP3.69
Rot. Bonds4

About N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide (PubChem CID 60599190) has the molecular formula C16H12Cl2F2N2O3 and a molecular weight of 389.19 g/mol. Its IUPAC name is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide
PubChem CID60599190
Molecular FormulaC16H12Cl2F2N2O3
Molecular Weight389.19 g/mol
Exact Mass388.02
IUPAC NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1c(O)cc(F)cc1F
InChIInChI=1S/C16H12Cl2F2N2O3/c1-22(16(25)15-12(20)4-8(19)5-13(15)23)7-14(24)21-9-2-3-10(17)11(18)6-9/h2-6,23H,7H2,1H3,(H,21,24)
InChIKeyHTISHQZWKJIUBB-UHFFFAOYSA-N
XLogP3.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.19
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-N-methylbenzamide
CID 2502921
N-(3,4-dichlorophenyl)-2-[(2,4-difluorophenyl)carbamoyl-methylamino]acetamide
CID 55432424
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide
CID 31182819
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 40604160
4-(carbamoylamino)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 30091289
5-acetyl-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9091886
N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 17430297
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
CID 31182814
5-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 31182564
2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 29359193
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-methylsulfonylbenzamide
CID 9418661

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide?
The IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide (CID 60599190) is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide?
The canonical SMILES for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1c(O)cc(F)cc1F.
What is the InChIKey of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide?
The InChIKey is HTISHQZWKJIUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F2N2O3/c1-22(16(25)15-12(20)4-8(19)5-13(15)23)7-14(24)21-9-2-3-10(17)11(18)6-9/h2-6,23H,7H2,1H3,(H,21,24).
What are the key properties of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide?
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide has a molecular weight of 389.19 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide is sourced from PubChem (CID 60599190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).