N-(1-amino-2-methylpropan-2-yl)-3-(2,5-difluorophenyl)propanamide

C13H18F2N2O — CID 119524062

IUPACN-(1-amino-2-methylpropan-2-yl)-3-(2,5-difluorophenyl)propanamide
SMILESCC(C)(CN)NC(=O)CCc1cc(F)ccc1F
InChIInChI=1S/C13H18F2N2O/c1-13(2,8-16)17-12(18)6-3-9-7-10(14)4-5-11(9)15/h4-5,7H,3,6,8,16H2,1-2H3,(H,17,18)
InChIKeyRTQWFEKWCXDFQO-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.75
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-3-(2,5-difluorophenyl)propanamide

N-(1-amino-2-methylpropan-2-yl)-3-(2,5-difluorophenyl)propanamide (PubChem CID 119524062) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-(2,5-difluorophenyl)propanamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-(2,5-difluorophenyl)propanamide
PubChem CID119524062
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-(2,5-difluorophenyl)propanamide
SMILESCC(C)(CN)NC(=O)CCc1cc(F)ccc1F
InChIInChI=1S/C13H18F2N2O/c1-13(2,8-16)17-12(18)6-3-9-7-10(14)4-5-11(9)15/h4-5,7H,3,6,8,16H2,1-2H3,(H,17,18)
InChIKeyRTQWFEKWCXDFQO-UHFFFAOYSA-N
XLogP1.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-(2-chloro-5-fluorophenyl)propanamide
CID 110833378
N-[3-(aminomethyl)pentan-3-yl]-3-(2,5-difluorophenyl)propanamide
CID 119571102
N-(1-amino-2-methylpropan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide
CID 119522730
N-(1-amino-2-methylpropan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride
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N-(1-amino-2-methylpropan-2-yl)-3-(4-chloro-3-fluorophenyl)propanamide
CID 110833364
N-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride
CID 119587847
3-(2,5-difluorophenyl)-N-(2-hydroxyethyl)propanamide
CID 110902844
N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119522331
3-(2,5-difluorophenyl)-N-(2-fluoro-4,5-dimethoxyphenyl)propanamide
CID 56782937
2-[3-(2,5-difluorophenyl)propanoylamino]butanoic acid
CID 119223283
N-(1-amino-2-methylpropan-2-yl)-3-(4-tert-butylphenyl)propanamide
CID 119522264
2-amino-N-[2-(2,5-difluorophenyl)ethyl]acetamide
CID 82492756

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(2,5-difluorophenyl)propanamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(2,5-difluorophenyl)propanamide (CID 119524062) is N-(1-amino-2-methylpropan-2-yl)-3-(2,5-difluorophenyl)propanamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-(2,5-difluorophenyl)propanamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-(2,5-difluorophenyl)propanamide is CC(C)(CN)NC(=O)CCc1cc(F)ccc1F.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-(2,5-difluorophenyl)propanamide?
The InChIKey is RTQWFEKWCXDFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-13(2,8-16)17-12(18)6-3-9-7-10(14)4-5-11(9)15/h4-5,7H,3,6,8,16H2,1-2H3,(H,17,18).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-(2,5-difluorophenyl)propanamide?
N-(1-amino-2-methylpropan-2-yl)-3-(2,5-difluorophenyl)propanamide has a molecular weight of 256.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-(2,5-difluorophenyl)propanamide is sourced from PubChem (CID 119524062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).