N-(1-aminopropan-2-yl)-2,4-difluorobenzamide

C10H12F2N2O — CID 63731532

IUPACN-(1-aminopropan-2-yl)-2,4-difluorobenzamide
SMILESCC(CN)NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H12F2N2O/c1-6(5-13)14-10(15)8-3-2-7(11)4-9(8)12/h2-4,6H,5,13H2,1H3,(H,14,15)
InChIKeyDTHSOMYGLLZPQR-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.04
Rot. Bonds3

About N-(1-aminopropan-2-yl)-2,4-difluorobenzamide

N-(1-aminopropan-2-yl)-2,4-difluorobenzamide (PubChem CID 63731532) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2,4-difluorobenzamide
PubChem CID63731532
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC NameN-(1-aminopropan-2-yl)-2,4-difluorobenzamide
SMILESCC(CN)NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H12F2N2O/c1-6(5-13)14-10(15)8-3-2-7(11)4-9(8)12/h2-4,6H,5,13H2,1H3,(H,14,15)
InChIKeyDTHSOMYGLLZPQR-UHFFFAOYSA-N
XLogP1.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide
CID 104873137
N-[(2S)-1-aminopropan-2-yl]-4-chloro-2-fluorobenzamide;hydrochloride
CID 120508532
N-[(2S)-1-aminopropan-2-yl]-4-fluoro-2-nitrobenzamide
CID 120506353
N-[(2R)-1-aminopropan-2-yl]-5-chloro-2-fluorobenzamide
CID 104873078
N-[(2S)-1-aminopropan-2-yl]-5-fluoro-2-nitrobenzamide
CID 120505682
N-(1-aminohexan-2-yl)-2,4-difluorobenzamide
CID 80698461
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 120504965
2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 93032270
N-(5-amino-4-methylpentyl)-2,4-difluorobenzamide
CID 106152842
N-(1-amino-3-phenylpropan-2-yl)-2,4-difluorobenzamide
CID 63754320
N-(1-aminopropan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 63731123

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2,4-difluorobenzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2,4-difluorobenzamide (CID 63731532) is N-(1-aminopropan-2-yl)-2,4-difluorobenzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2,4-difluorobenzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2,4-difluorobenzamide is CC(CN)NC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(1-aminopropan-2-yl)-2,4-difluorobenzamide?
The InChIKey is DTHSOMYGLLZPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-6(5-13)14-10(15)8-3-2-7(11)4-9(8)12/h2-4,6H,5,13H2,1H3,(H,14,15).
What are the key properties of N-(1-aminopropan-2-yl)-2,4-difluorobenzamide?
N-(1-aminopropan-2-yl)-2,4-difluorobenzamide has a molecular weight of 214.22 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2,4-difluorobenzamide is sourced from PubChem (CID 63731532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).