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

C18H20F2N2O — CID 109036765

IUPAC3-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)CCNc1ccc(F)c(F)c1
InChIInChI=1S/C18H20F2N2O/c1-12(2)14-5-3-4-6-17(14)22-18(23)9-10-21-13-7-8-15(19)16(20)11-13/h3-8,11-12,21H,9-10H2,1-2H3,(H,22,23)
InChIKeyJNKIVHPWWBLCHO-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.53
Rot. Bonds6

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

3-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 109036765) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide
PubChem CID109036765
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name3-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)CCNc1ccc(F)c(F)c1
InChIInChI=1S/C18H20F2N2O/c1-12(2)14-5-3-4-6-17(14)22-18(23)9-10-21-13-7-8-15(19)16(20)11-13/h3-8,11-12,21H,9-10H2,1-2H3,(H,22,23)
InChIKeyJNKIVHPWWBLCHO-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

3-(3,5-dimethylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 109035686
3-(2,4-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 109036753
3-(3,4-difluoroanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109036899
N-(3,4-dimethylphenyl)-3-(2-propan-2-ylanilino)propanamide
CID 109035429
N-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109041238
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
2-N-(3,4-difluorophenyl)-1-N-(2-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142345
3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109041188
3,4-difluoro-N-(2-propan-2-ylphenyl)aniline
CID 82536586
N-(4-fluorophenyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108954266
2-(naphthalen-2-ylamino)-N-(2-propan-2-ylphenyl)acetamide
CID 26506452
3-(4-chloroanilino)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 139806981

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide (CID 109036765) is 3-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide is CC(C)c1ccccc1NC(=O)CCNc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is JNKIVHPWWBLCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c1-12(2)14-5-3-4-6-17(14)22-18(23)9-10-21-13-7-8-15(19)16(20)11-13/h3-8,11-12,21H,9-10H2,1-2H3,(H,22,23).
What are the key properties of 3-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide?
3-(3,4-difluoroanilino)-N-(2-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-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 109036765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).