N-(1-amino-3-methoxypropan-2-yl)-2,3-difluorobenzamide

C11H14F2N2O2 — CID 106180175

IUPACN-(1-amino-3-methoxypropan-2-yl)-2,3-difluorobenzamide
SMILESCOCC(CN)NC(=O)c1cccc(F)c1F
InChIInChI=1S/C11H14F2N2O2/c1-17-6-7(5-14)15-11(16)8-3-2-4-9(12)10(8)13/h2-4,7H,5-6,14H2,1H3,(H,15,16)
InChIKeyHBBVPLXVASAZLQ-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.67
Rot. Bonds5

About N-(1-amino-3-methoxypropan-2-yl)-2,3-difluorobenzamide

N-(1-amino-3-methoxypropan-2-yl)-2,3-difluorobenzamide (PubChem CID 106180175) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is N-(1-amino-3-methoxypropan-2-yl)-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-(1-amino-3-methoxypropan-2-yl)-2,3-difluorobenzamide
PubChem CID106180175
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC NameN-(1-amino-3-methoxypropan-2-yl)-2,3-difluorobenzamide
SMILESCOCC(CN)NC(=O)c1cccc(F)c1F
InChIInChI=1S/C11H14F2N2O2/c1-17-6-7(5-14)15-11(16)8-3-2-4-9(12)10(8)13/h2-4,7H,5-6,14H2,1H3,(H,15,16)
InChIKeyHBBVPLXVASAZLQ-UHFFFAOYSA-N
XLogP0.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-bromo-3-methoxypropan-2-yl)-2,3-difluorobenzamide
CID 106183792
N-(1-amino-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 114154757
N-(1-amino-3-methoxypropan-2-yl)-2,3-dimethylbenzamide
CID 106180025
N-(1-amino-3-methoxypropan-2-yl)-2-(difluoromethoxy)benzamide
CID 106180569
2-fluoro-N-(1-methoxybutan-2-yl)-3-(trifluoromethyl)benzamide
CID 79885627
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
N-(1-aminobutan-2-yl)-3-bromo-2-fluorobenzamide
CID 107956165
N-(1-amino-3-methoxypropan-2-yl)-2,6-dimethylpyridine-3-carboxamide
CID 106180889
N-(4-amino-1-methoxybutan-2-yl)-2-ethylbenzamide
CID 114150708
2,3-difluoro-N-(3-methylpentan-2-yl)benzamide
CID 62660589
N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide
CID 81461199
N-(1-aminopentan-2-yl)-3-bromo-2-fluorobenzamide
CID 107956167

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-2,3-difluorobenzamide?
The IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-2,3-difluorobenzamide (CID 106180175) is N-(1-amino-3-methoxypropan-2-yl)-2,3-difluorobenzamide.
What is the SMILES notation for N-(1-amino-3-methoxypropan-2-yl)-2,3-difluorobenzamide?
The canonical SMILES for N-(1-amino-3-methoxypropan-2-yl)-2,3-difluorobenzamide is COCC(CN)NC(=O)c1cccc(F)c1F.
What is the InChIKey of N-(1-amino-3-methoxypropan-2-yl)-2,3-difluorobenzamide?
The InChIKey is HBBVPLXVASAZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-17-6-7(5-14)15-11(16)8-3-2-4-9(12)10(8)13/h2-4,7H,5-6,14H2,1H3,(H,15,16).
What are the key properties of N-(1-amino-3-methoxypropan-2-yl)-2,3-difluorobenzamide?
N-(1-amino-3-methoxypropan-2-yl)-2,3-difluorobenzamide has a molecular weight of 244.24 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methoxypropan-2-yl)-2,3-difluorobenzamide is sourced from PubChem (CID 106180175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).