N-(3-amino-2,2-difluoropropyl)-3-hydroxy-4-methoxybenzamide

C11H14F2N2O3 — CID 114383634

IUPACN-(3-amino-2,2-difluoropropyl)-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(F)(F)CN)cc1O
InChIInChI=1S/C11H14F2N2O3/c1-18-9-3-2-7(4-8(9)16)10(17)15-6-11(12,13)5-14/h2-4,16H,5-6,14H2,1H3,(H,15,17)
InChIKeyKSNNWRBNVXTKBN-UHFFFAOYSA-N
MW260.24 g/mol
LogP0.72
Rot. Bonds5

About N-(3-amino-2,2-difluoropropyl)-3-hydroxy-4-methoxybenzamide

N-(3-amino-2,2-difluoropropyl)-3-hydroxy-4-methoxybenzamide (PubChem CID 114383634) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-3-hydroxy-4-methoxybenzamide
PubChem CID114383634
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC NameN-(3-amino-2,2-difluoropropyl)-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(F)(F)CN)cc1O
InChIInChI=1S/C11H14F2N2O3/c1-18-9-3-2-7(4-8(9)16)10(17)15-6-11(12,13)5-14/h2-4,16H,5-6,14H2,1H3,(H,15,17)
InChIKeyKSNNWRBNVXTKBN-UHFFFAOYSA-N
XLogP0.72
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-difluoropropyl)-4-methoxy-3-nitrobenzamide
CID 114383455
N-(3-amino-2,2-difluoropropyl)-3,4,5-trimethoxybenzamide
CID 114383408
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193
N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 79726174
N-[2-(aminomethyl)-2-ethylbutyl]-3,4-dimethoxybenzamide
CID 106250783
N-[3-(2-aminoethoxy)propyl]-3-hydroxy-4-methoxybenzamide
CID 106307767
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
CID 79600016
N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79733239
N-(3-amino-2,2-difluoropropyl)-4-chlorobenzamide
CID 114383666
3-hydroxy-4-methoxy-N-[(1-methylcyclobutyl)methyl]benzamide
CID 103738245
4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786050
3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide
CID 79733240

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-3-hydroxy-4-methoxybenzamide (CID 114383634) is N-(3-amino-2,2-difluoropropyl)-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-3-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NCC(F)(F)CN)cc1O.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-3-hydroxy-4-methoxybenzamide?
The InChIKey is KSNNWRBNVXTKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-18-9-3-2-7(4-8(9)16)10(17)15-6-11(12,13)5-14/h2-4,16H,5-6,14H2,1H3,(H,15,17).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-3-hydroxy-4-methoxybenzamide?
N-(3-amino-2,2-difluoropropyl)-3-hydroxy-4-methoxybenzamide has a molecular weight of 260.24 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 114383634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).