2-amino-N-[1-(3,4-difluorophenyl)-2-methylpropan-2-yl]propanamide

C13H18F2N2O — CID 118878544

IUPAC2-amino-N-[1-(3,4-difluorophenyl)-2-methylpropan-2-yl]propanamide
SMILESCC(N)C(=O)NC(C)(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-8(16)12(18)17-13(2,3)7-9-4-5-10(14)11(15)6-9/h4-6,8H,7,16H2,1-3H3,(H,17,18)
InChIKeyUWIMVKGWDAZQIL-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.75
Rot. Bonds4

About 2-amino-N-[1-(3,4-difluorophenyl)-2-methylpropan-2-yl]propanamide

2-amino-N-[1-(3,4-difluorophenyl)-2-methylpropan-2-yl]propanamide (PubChem CID 118878544) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-amino-N-[1-(3,4-difluorophenyl)-2-methylpropan-2-yl]propanamide.

Molecular Properties

Compound Name2-amino-N-[1-(3,4-difluorophenyl)-2-methylpropan-2-yl]propanamide
PubChem CID118878544
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-amino-N-[1-(3,4-difluorophenyl)-2-methylpropan-2-yl]propanamide
SMILESCC(N)C(=O)NC(C)(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-8(16)12(18)17-13(2,3)7-9-4-5-10(14)11(15)6-9/h4-6,8H,7,16H2,1-3H3,(H,17,18)
InChIKeyUWIMVKGWDAZQIL-UHFFFAOYSA-N
XLogP1.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze 2-amino-N-[1-(3,4-difluorophenyl)-2-methylpropan-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]propanamide
CID 163242373
tert-butyl N-[1-[[1-(3,4-difluorophenyl)-2-methylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 163242479
(2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide
CID 78973210
(2S)-2-amino-N-[1,3-bis(3,5-difluorophenyl)-2-methylpropan-2-yl]propanamide
CID 163242490
3-amino-2-[(3,4-difluorophenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899920
2-[[(2S)-2-aminopropanoyl]amino]-5-(3,4-difluorophenyl)pentanoic acid
CID 155171207
(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid;hydrate
CID 22803212
2-chloro-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide
CID 23109639
2-[(3,4-difluorophenyl)methyl]-2-ethylbutanoic acid
CID 82919875
2-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 107665393
1-(3,4-difluorophenyl)-2,3-dimethylpentan-2-ol
CID 82919789
1-(3,4-difluorophenyl)-2-methyl-4-(propan-2-ylamino)butan-2-ol
CID 82935066

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3,4-difluorophenyl)-2-methylpropan-2-yl]propanamide?
The IUPAC name of 2-amino-N-[1-(3,4-difluorophenyl)-2-methylpropan-2-yl]propanamide (CID 118878544) is 2-amino-N-[1-(3,4-difluorophenyl)-2-methylpropan-2-yl]propanamide.
What is the SMILES notation for 2-amino-N-[1-(3,4-difluorophenyl)-2-methylpropan-2-yl]propanamide?
The canonical SMILES for 2-amino-N-[1-(3,4-difluorophenyl)-2-methylpropan-2-yl]propanamide is CC(N)C(=O)NC(C)(C)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-amino-N-[1-(3,4-difluorophenyl)-2-methylpropan-2-yl]propanamide?
The InChIKey is UWIMVKGWDAZQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-8(16)12(18)17-13(2,3)7-9-4-5-10(14)11(15)6-9/h4-6,8H,7,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-N-[1-(3,4-difluorophenyl)-2-methylpropan-2-yl]propanamide?
2-amino-N-[1-(3,4-difluorophenyl)-2-methylpropan-2-yl]propanamide has a molecular weight of 256.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3,4-difluorophenyl)-2-methylpropan-2-yl]propanamide is sourced from PubChem (CID 118878544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).