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

C15H12ClF3N2O — CID 109038862

IUPAC3-(3-chloro-4-fluoroanilino)-N-(2,6-difluorophenyl)propanamide
SMILESO=C(CCNc1ccc(F)c(Cl)c1)Nc1c(F)cccc1F
InChIInChI=1S/C15H12ClF3N2O/c16-10-8-9(4-5-11(10)17)20-7-6-14(22)21-15-12(18)2-1-3-13(15)19/h1-5,8,20H,6-7H2,(H,21,22)
InChIKeyLSVVZJAZROKPDZ-UHFFFAOYSA-N
MW328.72 g/mol
LogP4.20
Rot. Bonds5

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

3-(3-chloro-4-fluoroanilino)-N-(2,6-difluorophenyl)propanamide (PubChem CID 109038862) has the molecular formula C15H12ClF3N2O and a molecular weight of 328.72 g/mol. Its IUPAC name is 3-(3-chloro-4-fluoroanilino)-N-(2,6-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-fluoroanilino)-N-(2,6-difluorophenyl)propanamide
PubChem CID109038862
Molecular FormulaC15H12ClF3N2O
Molecular Weight328.72 g/mol
Exact Mass328.06
IUPAC Name3-(3-chloro-4-fluoroanilino)-N-(2,6-difluorophenyl)propanamide
SMILESO=C(CCNc1ccc(F)c(Cl)c1)Nc1c(F)cccc1F
InChIInChI=1S/C15H12ClF3N2O/c16-10-8-9(4-5-11(10)17)20-7-6-14(22)21-15-12(18)2-1-3-13(15)19/h1-5,8,20H,6-7H2,(H,21,22)
InChIKeyLSVVZJAZROKPDZ-UHFFFAOYSA-N
XLogP4.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.72
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-(2,6-difluoroanilino)propanamide
CID 109038664
3-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)propanamide
CID 109042717
N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide
CID 109038816
N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035868
3-(3-acetamidoanilino)-N-(2,6-difluorophenyl)propanamide
CID 109041187
3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)propanamide
CID 109038491
3-(3-chloro-4-fluoroanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109038822
3-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)propanamide
CID 109038857
N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042632
3-(3-cyanoanilino)-N-(2,6-difluorophenyl)propanamide
CID 109042830
N-(2,6-dichlorophenyl)-3-(4-fluoroanilino)propanamide
CID 109037778
N-(3-chloro-4-fluorophenyl)-3-(4-phenoxyanilino)propanamide
CID 109038759

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluoroanilino)-N-(2,6-difluorophenyl)propanamide?
The IUPAC name of 3-(3-chloro-4-fluoroanilino)-N-(2,6-difluorophenyl)propanamide (CID 109038862) is 3-(3-chloro-4-fluoroanilino)-N-(2,6-difluorophenyl)propanamide.
What is the SMILES notation for 3-(3-chloro-4-fluoroanilino)-N-(2,6-difluorophenyl)propanamide?
The canonical SMILES for 3-(3-chloro-4-fluoroanilino)-N-(2,6-difluorophenyl)propanamide is O=C(CCNc1ccc(F)c(Cl)c1)Nc1c(F)cccc1F.
What is the InChIKey of 3-(3-chloro-4-fluoroanilino)-N-(2,6-difluorophenyl)propanamide?
The InChIKey is LSVVZJAZROKPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O/c16-10-8-9(4-5-11(10)17)20-7-6-14(22)21-15-12(18)2-1-3-13(15)19/h1-5,8,20H,6-7H2,(H,21,22).
What are the key properties of 3-(3-chloro-4-fluoroanilino)-N-(2,6-difluorophenyl)propanamide?
3-(3-chloro-4-fluoroanilino)-N-(2,6-difluorophenyl)propanamide has a molecular weight of 328.72 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluoroanilino)-N-(2,6-difluorophenyl)propanamide is sourced from PubChem (CID 109038862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).