N-[3-(3,5-difluoroanilino)-3-oxopropyl]-2,2-dimethylpropanamide

C14H18F2N2O2 — CID 18205419

IUPACN-[3-(3,5-difluoroanilino)-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C14H18F2N2O2/c1-14(2,3)13(20)17-5-4-12(19)18-11-7-9(15)6-10(16)8-11/h6-8H,4-5H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyXSDJGZCKELTRAY-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.46
Rot. Bonds4

About N-[3-(3,5-difluoroanilino)-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-(3,5-difluoroanilino)-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 18205419) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[3-(3,5-difluoroanilino)-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-(3,5-difluoroanilino)-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID18205419
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC NameN-[3-(3,5-difluoroanilino)-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C14H18F2N2O2/c1-14(2,3)13(20)17-5-4-12(19)18-11-7-9(15)6-10(16)8-11/h6-8H,4-5H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyXSDJGZCKELTRAY-UHFFFAOYSA-N
XLogP2.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[3,5-bis(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 33163919
N-(3,5-difluorophenyl)butanamide
CID 17271988
N-[3-(4-fluoro-3-nitroanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 33172062
2,2-dimethyl-N-[3-oxo-3-[4-(trifluoromethylsulfonyl)anilino]propyl]propanamide
CID 75395265
N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 33165211
2,2-dimethyl-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]propanamide
CID 18155036
N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18154986
N-[3-[3-[(3-fluorophenyl)methoxy]anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 55890536
3-[3-(2,2-dimethylpropanoylamino)propanoylamino]-N-methylbenzamide
CID 33171708
3-[(3,5-difluorophenyl)carbamoylamino]propanoic acid
CID 61189395
N-[3-[4-(2,5-dimethylphenyl)sulfanylanilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 22830955
N-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18155095

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-difluoroanilino)-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-(3,5-difluoroanilino)-3-oxopropyl]-2,2-dimethylpropanamide (CID 18205419) is N-[3-(3,5-difluoroanilino)-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-(3,5-difluoroanilino)-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-(3,5-difluoroanilino)-3-oxopropyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCC(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-[3-(3,5-difluoroanilino)-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is XSDJGZCKELTRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-14(2,3)13(20)17-5-4-12(19)18-11-7-9(15)6-10(16)8-11/h6-8H,4-5H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-(3,5-difluoroanilino)-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-(3,5-difluoroanilino)-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 284.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-difluoroanilino)-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 18205419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).