N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

C14H24Cl2FN3O — CID 119856694

IUPACN-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)Nc1cc(F)ccc1NC(C)C.Cl.Cl
InChIInChI=1S/C14H22FN3O.2ClH/c1-9(2)17-12-6-5-11(15)7-13(12)18-14(19)10(3)8-16-4;;/h5-7,9-10,16-17H,8H2,1-4H3,(H,18,19);2*1H
InChIKeyMBRPLKUSCVNPON-UHFFFAOYSA-N
MW340.27 g/mol
LogP3.28
Rot. Bonds6

About N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (PubChem CID 119856694) has the molecular formula C14H24Cl2FN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
PubChem CID119856694
Molecular FormulaC14H24Cl2FN3O
Molecular Weight340.27 g/mol
Exact Mass339.13
IUPAC NameN-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)Nc1cc(F)ccc1NC(C)C.Cl.Cl
InChIInChI=1S/C14H22FN3O.2ClH/c1-9(2)17-12-6-5-11(15)7-13(12)18-14(19)10(3)8-16-4;;/h5-7,9-10,16-17H,8H2,1-4H3,(H,18,19);2*1H
InChIKeyMBRPLKUSCVNPON-UHFFFAOYSA-N
XLogP3.28
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]propanamide;dihydrochloride
CID 119856686
N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methoxypropanamide
CID 71983867
(2S)-2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]butanamide
CID 119856697
2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride
CID 119856698
methyl 5-fluoro-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate
CID 79196610
3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 62729006
N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119705048
2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide;hydrochloride
CID 119674747
N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119707017
N-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119727073
methyl 4-fluoro-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate;hydrochloride
CID 119702256
2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide
CID 79196419

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The IUPAC name of N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (CID 119856694) is N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.
What is the SMILES notation for N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The canonical SMILES for N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is CNCC(C)C(=O)Nc1cc(F)ccc1NC(C)C.Cl.Cl.
What is the InChIKey of N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The InChIKey is MBRPLKUSCVNPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O.2ClH/c1-9(2)17-12-6-5-11(15)7-13(12)18-14(19)10(3)8-16-4;;/h5-7,9-10,16-17H,8H2,1-4H3,(H,18,19);2*1H.
What are the key properties of N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride has a molecular weight of 340.27 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is sourced from PubChem (CID 119856694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).