N-[4-[[1-(2-fluoroanilino)-1-oxopropan-2-yl]amino]phenyl]-2,2-dimethylpropanamide

C20H24FN3O2 — CID 18280724

IUPACN-[4-[[1-(2-fluoroanilino)-1-oxopropan-2-yl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCC(Nc1ccc(NC(=O)C(C)(C)C)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C20H24FN3O2/c1-13(18(25)24-17-8-6-5-7-16(17)21)22-14-9-11-15(12-10-14)23-19(26)20(2,3)4/h5-13,22H,1-4H3,(H,23,26)(H,24,25)
InChIKeyKMJYSTNTJMSYMB-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.25
Rot. Bonds5

About N-[4-[[1-(2-fluoroanilino)-1-oxopropan-2-yl]amino]phenyl]-2,2-dimethylpropanamide

N-[4-[[1-(2-fluoroanilino)-1-oxopropan-2-yl]amino]phenyl]-2,2-dimethylpropanamide (PubChem CID 18280724) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[4-[[1-(2-fluoroanilino)-1-oxopropan-2-yl]amino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[[1-(2-fluoroanilino)-1-oxopropan-2-yl]amino]phenyl]-2,2-dimethylpropanamide
PubChem CID18280724
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-[4-[[1-(2-fluoroanilino)-1-oxopropan-2-yl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCC(Nc1ccc(NC(=O)C(C)(C)C)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C20H24FN3O2/c1-13(18(25)24-17-8-6-5-7-16(17)21)22-14-9-11-15(12-10-14)23-19(26)20(2,3)4/h5-13,22H,1-4H3,(H,23,26)(H,24,25)
InChIKeyKMJYSTNTJMSYMB-UHFFFAOYSA-N
XLogP4.25
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylanilino)-N-(2-fluorophenyl)propanamide
CID 51167745
N-(2-fluorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17493498
2-(4-fluoroanilino)-N-(2-methoxyphenyl)propanamide
CID 46757748
2-(4-acetamidoanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242154
(2S)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide
CID 7928579
2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242458
2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide
CID 110407940
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(2,2-dimethylpropanoylamino)benzoate
CID 55541712
N-(2-chlorophenyl)-2-(4-fluoroanilino)propanamide
CID 51242355
N'-(2-fluorophenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967144
1-(2,2-dimethylpropanoylamino)-3-(2-fluorophenyl)urea
CID 17269898
(2S)-2-(4-fluoroanilino)-N-naphthalen-1-ylpropanamide
CID 32736092

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(2-fluoroanilino)-1-oxopropan-2-yl]amino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[[1-(2-fluoroanilino)-1-oxopropan-2-yl]amino]phenyl]-2,2-dimethylpropanamide (CID 18280724) is N-[4-[[1-(2-fluoroanilino)-1-oxopropan-2-yl]amino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[[1-(2-fluoroanilino)-1-oxopropan-2-yl]amino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[[1-(2-fluoroanilino)-1-oxopropan-2-yl]amino]phenyl]-2,2-dimethylpropanamide is CC(Nc1ccc(NC(=O)C(C)(C)C)cc1)C(=O)Nc1ccccc1F.
What is the InChIKey of N-[4-[[1-(2-fluoroanilino)-1-oxopropan-2-yl]amino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is KMJYSTNTJMSYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-13(18(25)24-17-8-6-5-7-16(17)21)22-14-9-11-15(12-10-14)23-19(26)20(2,3)4/h5-13,22H,1-4H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-[[1-(2-fluoroanilino)-1-oxopropan-2-yl]amino]phenyl]-2,2-dimethylpropanamide?
N-[4-[[1-(2-fluoroanilino)-1-oxopropan-2-yl]amino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 357.43 g/mol, XLogP of 4.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(2-fluoroanilino)-1-oxopropan-2-yl]amino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 18280724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).