N-(3-amino-2,2-difluoropropyl)-3,4,5-trimethoxybenzamide

C13H18F2N2O4 — CID 114383408

IUPACN-(3-amino-2,2-difluoropropyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC(F)(F)CN)cc(OC)c1OC
InChIInChI=1S/C13H18F2N2O4/c1-19-9-4-8(5-10(20-2)11(9)21-3)12(18)17-7-13(14,15)6-16/h4-5H,6-7,16H2,1-3H3,(H,17,18)
InChIKeyJQZFPXKEJBZJMK-UHFFFAOYSA-N
MW304.29 g/mol
LogP1.04
Rot. Bonds7

About N-(3-amino-2,2-difluoropropyl)-3,4,5-trimethoxybenzamide

N-(3-amino-2,2-difluoropropyl)-3,4,5-trimethoxybenzamide (PubChem CID 114383408) has the molecular formula C13H18F2N2O4 and a molecular weight of 304.29 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-3,4,5-trimethoxybenzamide
PubChem CID114383408
Molecular FormulaC13H18F2N2O4
Molecular Weight304.29 g/mol
Exact Mass304.12
IUPAC NameN-(3-amino-2,2-difluoropropyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC(F)(F)CN)cc(OC)c1OC
InChIInChI=1S/C13H18F2N2O4/c1-19-9-4-8(5-10(20-2)11(9)21-3)12(18)17-7-13(14,15)6-16/h4-5H,6-7,16H2,1-3H3,(H,17,18)
InChIKeyJQZFPXKEJBZJMK-UHFFFAOYSA-N
XLogP1.04
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2,2-difluoropropyl)-3-hydroxy-4-methoxybenzamide
CID 114383634
3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 18105718
N-(3-amino-2,2-difluoropropyl)-4-methoxy-3-nitrobenzamide
CID 114383455
4-bromo-N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethoxybenzamide
CID 104857145
methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777
N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide
CID 5235271
N-(3-amino-2-hydroxy-3-oxopropyl)-3,4,5-trimethoxybenzamide
CID 107261003
(3,3-dimethyl-2-oxobutyl) 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 40589265
N-(2,2,2-trifluoroethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18105578
N-(1-bromo-2-methylpropan-2-yl)-3,4,5-trimethoxybenzamide
CID 114307867
N-(3-hydroxypentyl)-3,4,5-trimethoxybenzamide
CID 115703422
N-[(2-amino-3,4,5-trimethoxyphenyl)methyl]-3,4,5-trimethoxybenzamide
CID 110182047

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-3,4,5-trimethoxybenzamide (CID 114383408) is N-(3-amino-2,2-difluoropropyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCC(F)(F)CN)cc(OC)c1OC.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-3,4,5-trimethoxybenzamide?
The InChIKey is JQZFPXKEJBZJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O4/c1-19-9-4-8(5-10(20-2)11(9)21-3)12(18)17-7-13(14,15)6-16/h4-5H,6-7,16H2,1-3H3,(H,17,18).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-3,4,5-trimethoxybenzamide?
N-(3-amino-2,2-difluoropropyl)-3,4,5-trimethoxybenzamide has a molecular weight of 304.29 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 114383408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).