3-(3,4-difluoroanilino)-N-(4-propan-2-ylphenyl)propanamide

C18H20F2N2O — CID 109036899

IUPAC3-(3,4-difluoroanilino)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)CCNc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H20F2N2O/c1-12(2)13-3-5-14(6-4-13)22-18(23)9-10-21-15-7-8-16(19)17(20)11-15/h3-8,11-12,21H,9-10H2,1-2H3,(H,22,23)
InChIKeyYMIRNVWRVFJMRI-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.53
Rot. Bonds6

About 3-(3,4-difluoroanilino)-N-(4-propan-2-ylphenyl)propanamide

3-(3,4-difluoroanilino)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 109036899) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-(3,4-difluoroanilino)-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluoroanilino)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID109036899
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name3-(3,4-difluoroanilino)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)CCNc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H20F2N2O/c1-12(2)13-3-5-14(6-4-13)22-18(23)9-10-21-15-7-8-16(19)17(20)11-15/h3-8,11-12,21H,9-10H2,1-2H3,(H,22,23)
InChIKeyYMIRNVWRVFJMRI-UHFFFAOYSA-N
XLogP4.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109041238
3-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109035687
3-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 109036765
N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042632
3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109041188
3-[4-(dimethylamino)anilino]-N-(4-propan-2-ylphenyl)propanamide
CID 109036871
3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
CID 109034228
N-[4-(diethylamino)phenyl]-3-(4-propan-2-ylanilino)propanamide
CID 109036938
N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide
CID 109038816
3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040581
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109042183

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluoroanilino)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(3,4-difluoroanilino)-N-(4-propan-2-ylphenyl)propanamide (CID 109036899) is 3-(3,4-difluoroanilino)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(3,4-difluoroanilino)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(3,4-difluoroanilino)-N-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(NC(=O)CCNc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 3-(3,4-difluoroanilino)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is YMIRNVWRVFJMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c1-12(2)13-3-5-14(6-4-13)22-18(23)9-10-21-15-7-8-16(19)17(20)11-15/h3-8,11-12,21H,9-10H2,1-2H3,(H,22,23).
What are the key properties of 3-(3,4-difluoroanilino)-N-(4-propan-2-ylphenyl)propanamide?
3-(3,4-difluoroanilino)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 318.37 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluoroanilino)-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 109036899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).