2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]propanamide;dihydrochloride

C12H20Cl2FN3O — CID 119856686

IUPAC2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]propanamide;dihydrochloride
SMILESCC(C)Nc1ccc(F)cc1NC(=O)C(C)N.Cl.Cl
InChIInChI=1S/C12H18FN3O.2ClH/c1-7(2)15-10-5-4-9(13)6-11(10)16-12(17)8(3)14;;/h4-8,15H,14H2,1-3H3,(H,16,17);2*1H
InChIKeyIKFDPIAVHLXQNO-UHFFFAOYSA-N
MW312.22 g/mol
LogP2.78
Rot. Bonds4

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

2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]propanamide;dihydrochloride (PubChem CID 119856686) has the molecular formula C12H20Cl2FN3O and a molecular weight of 312.22 g/mol. Its IUPAC name is 2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]propanamide;dihydrochloride
PubChem CID119856686
Molecular FormulaC12H20Cl2FN3O
Molecular Weight312.22 g/mol
Exact Mass311.10
IUPAC Name2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]propanamide;dihydrochloride
SMILESCC(C)Nc1ccc(F)cc1NC(=O)C(C)N.Cl.Cl
InChIInChI=1S/C12H18FN3O.2ClH/c1-7(2)15-10-5-4-9(13)6-11(10)16-12(17)8(3)14;;/h4-8,15H,14H2,1-3H3,(H,16,17);2*1H
InChIKeyIKFDPIAVHLXQNO-UHFFFAOYSA-N
XLogP2.78
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119856697
N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methoxypropanamide
CID 71983867
N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119856694
2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride
CID 119856698
2-[[(2R)-2-aminopropanoyl]amino]-4-fluorobenzoic acid
CID 78973510
2-amino-N-(2-ethoxy-4-fluorophenyl)propanamide;hydrochloride
CID 119286702
2-amino-N-(4-fluorophenyl)propanamide;hydrochloride
CID 56832255
(2S)-N-(2-acetamido-4,5-difluorophenyl)-2-aminopropanamide
CID 119308430
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817
2-amino-N-(4-bromo-2-fluorophenyl)propanamide
CID 24708230
4-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]butanamide
CID 119873547
(2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide
CID 62816267

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]propanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]propanamide;dihydrochloride (CID 119856686) is 2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]propanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]propanamide;dihydrochloride is CC(C)Nc1ccc(F)cc1NC(=O)C(C)N.Cl.Cl.
What is the InChIKey of 2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]propanamide;dihydrochloride?
The InChIKey is IKFDPIAVHLXQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O.2ClH/c1-7(2)15-10-5-4-9(13)6-11(10)16-12(17)8(3)14;;/h4-8,15H,14H2,1-3H3,(H,16,17);2*1H.
What are the key properties of 2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]propanamide;dihydrochloride?
2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]propanamide;dihydrochloride has a molecular weight of 312.22 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]propanamide;dihydrochloride is sourced from PubChem (CID 119856686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).