3-(2-chloro-4,6-dimethylanilino)-N-(3,4-difluorophenyl)propanamide

C17H17ClF2N2O — CID 109038951

IUPAC3-(2-chloro-4,6-dimethylanilino)-N-(3,4-difluorophenyl)propanamide
SMILESCc1cc(C)c(NCCC(=O)Nc2ccc(F)c(F)c2)c(Cl)c1
InChIInChI=1S/C17H17ClF2N2O/c1-10-7-11(2)17(13(18)8-10)21-6-5-16(23)22-12-3-4-14(19)15(20)9-12/h3-4,7-9,21H,5-6H2,1-2H3,(H,22,23)
InChIKeyCKSUWKFGONVZPU-UHFFFAOYSA-N
MW338.79 g/mol
LogP4.68
Rot. Bonds5

About 3-(2-chloro-4,6-dimethylanilino)-N-(3,4-difluorophenyl)propanamide

3-(2-chloro-4,6-dimethylanilino)-N-(3,4-difluorophenyl)propanamide (PubChem CID 109038951) has the molecular formula C17H17ClF2N2O and a molecular weight of 338.79 g/mol. Its IUPAC name is 3-(2-chloro-4,6-dimethylanilino)-N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(2-chloro-4,6-dimethylanilino)-N-(3,4-difluorophenyl)propanamide
PubChem CID109038951
Molecular FormulaC17H17ClF2N2O
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC Name3-(2-chloro-4,6-dimethylanilino)-N-(3,4-difluorophenyl)propanamide
SMILESCc1cc(C)c(NCCC(=O)Nc2ccc(F)c(F)c2)c(Cl)c1
InChIInChI=1S/C17H17ClF2N2O/c1-10-7-11(2)17(13(18)8-10)21-6-5-16(23)22-12-3-4-14(19)15(20)9-12/h3-4,7-9,21H,5-6H2,1-2H3,(H,22,23)
InChIKeyCKSUWKFGONVZPU-UHFFFAOYSA-N
XLogP4.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2-chloro-4,6-dimethylphenyl)-N-(3,4-difluorophenyl)propanediamide
CID 108955386
N-(4-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038924
N-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide
CID 109034461
3-(2-chloro-4,6-dimethylanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109038931
N-(3-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038923
N-(3-chloro-4-methylphenyl)-3-(2,6-difluoroanilino)propanamide
CID 109038664
N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042632
3-(2-chloro-4,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109038932
N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035868
3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
CID 109034228
N-(2-chloro-4,6-dimethylphenyl)-3-(4-propan-2-yloxyanilino)propanamide
CID 109038875
N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038437

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4,6-dimethylanilino)-N-(3,4-difluorophenyl)propanamide?
The IUPAC name of 3-(2-chloro-4,6-dimethylanilino)-N-(3,4-difluorophenyl)propanamide (CID 109038951) is 3-(2-chloro-4,6-dimethylanilino)-N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-(2-chloro-4,6-dimethylanilino)-N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for 3-(2-chloro-4,6-dimethylanilino)-N-(3,4-difluorophenyl)propanamide is Cc1cc(C)c(NCCC(=O)Nc2ccc(F)c(F)c2)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4,6-dimethylanilino)-N-(3,4-difluorophenyl)propanamide?
The InChIKey is CKSUWKFGONVZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2N2O/c1-10-7-11(2)17(13(18)8-10)21-6-5-16(23)22-12-3-4-14(19)15(20)9-12/h3-4,7-9,21H,5-6H2,1-2H3,(H,22,23).
What are the key properties of 3-(2-chloro-4,6-dimethylanilino)-N-(3,4-difluorophenyl)propanamide?
3-(2-chloro-4,6-dimethylanilino)-N-(3,4-difluorophenyl)propanamide has a molecular weight of 338.79 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4,6-dimethylanilino)-N-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 109038951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).