4-amino-N-[2-(3,4-difluorophenyl)propan-2-yl]butanamide

C13H18F2N2O — CID 119338113

IUPAC4-amino-N-[2-(3,4-difluorophenyl)propan-2-yl]butanamide
SMILESCC(C)(NC(=O)CCCN)c1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-13(2,17-12(18)4-3-7-16)9-5-6-10(14)11(15)8-9/h5-6,8H,3-4,7,16H2,1-2H3,(H,17,18)
InChIKeyYYORUTLZJLRGGM-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.06
Rot. Bonds5

About 4-amino-N-[2-(3,4-difluorophenyl)propan-2-yl]butanamide

4-amino-N-[2-(3,4-difluorophenyl)propan-2-yl]butanamide (PubChem CID 119338113) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-amino-N-[2-(3,4-difluorophenyl)propan-2-yl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(3,4-difluorophenyl)propan-2-yl]butanamide
PubChem CID119338113
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-amino-N-[2-(3,4-difluorophenyl)propan-2-yl]butanamide
SMILESCC(C)(NC(=O)CCCN)c1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-13(2,17-12(18)4-3-7-16)9-5-6-10(14)11(15)8-9/h5-6,8H,3-4,7,16H2,1-2H3,(H,17,18)
InChIKeyYYORUTLZJLRGGM-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-N-[2-(3,4-difluorophenyl)propan-2-yl]acetamide
CID 119809188
N-[2-(3,4-difluorophenyl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119809191
4-amino-N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]butanamide
CID 119338802
4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119318753
N-(2-acetamidoethyl)-2-[2-(3,4-difluorophenyl)propan-2-ylamino]acetamide
CID 146086928
N-[2-(4-bromophenyl)propan-2-yl]-4-hydroxybutanamide
CID 79203736
4-amino-1-(3,4-difluorophenyl)butan-1-one
CID 82341709
N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobutanamide
CID 63308093
6-[2-(4-bromophenyl)propan-2-ylamino]-6-oxohexanoic acid
CID 60941635
N-[2-(4-bromophenyl)propan-2-yl]-4-(methylamino)butanamide
CID 60842935
2-amino-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 110459405
4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride
CID 119280533

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3,4-difluorophenyl)propan-2-yl]butanamide?
The IUPAC name of 4-amino-N-[2-(3,4-difluorophenyl)propan-2-yl]butanamide (CID 119338113) is 4-amino-N-[2-(3,4-difluorophenyl)propan-2-yl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(3,4-difluorophenyl)propan-2-yl]butanamide?
The canonical SMILES for 4-amino-N-[2-(3,4-difluorophenyl)propan-2-yl]butanamide is CC(C)(NC(=O)CCCN)c1ccc(F)c(F)c1.
What is the InChIKey of 4-amino-N-[2-(3,4-difluorophenyl)propan-2-yl]butanamide?
The InChIKey is YYORUTLZJLRGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-13(2,17-12(18)4-3-7-16)9-5-6-10(14)11(15)8-9/h5-6,8H,3-4,7,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-[2-(3,4-difluorophenyl)propan-2-yl]butanamide?
4-amino-N-[2-(3,4-difluorophenyl)propan-2-yl]butanamide has a molecular weight of 256.30 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3,4-difluorophenyl)propan-2-yl]butanamide is sourced from PubChem (CID 119338113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).