3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide

C16H15ClF2N2O2 — CID 109039179

IUPAC3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C16H15ClF2N2O2/c1-23-14-6-5-10(17)9-13(14)20-8-7-15(22)21-16-11(18)3-2-4-12(16)19/h2-6,9,20H,7-8H2,1H3,(H,21,22)
InChIKeyRKGMYGXTSSZXKK-UHFFFAOYSA-N
MW340.76 g/mol
LogP4.07
Rot. Bonds6

About 3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide

3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide (PubChem CID 109039179) has the molecular formula C16H15ClF2N2O2 and a molecular weight of 340.76 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide
PubChem CID109039179
Molecular FormulaC16H15ClF2N2O2
Molecular Weight340.76 g/mol
Exact Mass340.08
IUPAC Name3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C16H15ClF2N2O2/c1-23-14-6-5-10(17)9-13(14)20-8-7-15(22)21-16-11(18)3-2-4-12(16)19/h2-6,9,20H,7-8H2,1H3,(H,21,22)
InChIKeyRKGMYGXTSSZXKK-UHFFFAOYSA-N
XLogP4.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.76
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)propanamide
CID 109038491
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
N-(2,6-difluorophenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109040526
3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
N-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)propanamide
CID 47824671
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
N-(5-chloro-2-methoxyphenyl)-N'-(2,6-difluorophenyl)oxamide
CID 108502213
3-(5-chloro-2-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109039146
N-(5-chloro-2-methoxyphenyl)-3-[(6-fluoro-2-pyridinyl)amino]propanamide
CID 71981389
3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 109038796
N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 109040075

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide?
The IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide (CID 109039179) is 3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide.
What is the SMILES notation for 3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide?
The canonical SMILES for 3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide is COc1ccc(Cl)cc1NCCC(=O)Nc1c(F)cccc1F.
What is the InChIKey of 3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide?
The InChIKey is RKGMYGXTSSZXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O2/c1-23-14-6-5-10(17)9-13(14)20-8-7-15(22)21-16-11(18)3-2-4-12(16)19/h2-6,9,20H,7-8H2,1H3,(H,21,22).
What are the key properties of 3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide?
3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide has a molecular weight of 340.76 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide is sourced from PubChem (CID 109039179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).