N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide

C15H12Cl2F2N2O — CID 109042632

IUPACN-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide
SMILESO=C(CCNc1ccc(F)c(F)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2F2N2O/c16-11-3-1-10(7-12(11)17)21-15(22)5-6-20-9-2-4-13(18)14(19)8-9/h1-4,7-8,20H,5-6H2,(H,21,22)
InChIKeyVIZWRJYXVMWBPC-UHFFFAOYSA-N
MW345.18 g/mol
LogP4.71
Rot. Bonds5

About N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide

N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide (PubChem CID 109042632) has the molecular formula C15H12Cl2F2N2O and a molecular weight of 345.18 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide
PubChem CID109042632
Molecular FormulaC15H12Cl2F2N2O
Molecular Weight345.18 g/mol
Exact Mass344.03
IUPAC NameN-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide
SMILESO=C(CCNc1ccc(F)c(F)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2F2N2O/c16-11-3-1-10(7-12(11)17)21-15(22)5-6-20-9-2-4-13(18)14(19)8-9/h1-4,7-8,20H,5-6H2,(H,21,22)
InChIKeyVIZWRJYXVMWBPC-UHFFFAOYSA-N
XLogP4.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109041238
N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide
CID 109038816
3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109041188
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
3-(3,4-difluoroanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109036899
3-(2-chloro-4,6-dimethylanilino)-N-(3,4-difluorophenyl)propanamide
CID 109038951
3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
CID 109034228
N-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109039718
3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109042183
3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040581
3-(3-chloro-4-fluoroanilino)-N-(2,6-difluorophenyl)propanamide
CID 109038862
3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide
CID 109038130

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide (CID 109042632) is N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide is O=C(CCNc1ccc(F)c(F)c1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide?
The InChIKey is VIZWRJYXVMWBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F2N2O/c16-11-3-1-10(7-12(11)17)21-15(22)5-6-20-9-2-4-13(18)14(19)8-9/h1-4,7-8,20H,5-6H2,(H,21,22).
What are the key properties of N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide?
N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide has a molecular weight of 345.18 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide is sourced from PubChem (CID 109042632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).