N-(4-amino-2-methylbutyl)-2-(difluoromethoxy)benzamide

C13H18F2N2O2 — CID 66091129

IUPACN-(4-amino-2-methylbutyl)-2-(difluoromethoxy)benzamide
SMILESCC(CCN)CNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C13H18F2N2O2/c1-9(6-7-16)8-17-12(18)10-4-2-3-5-11(10)19-13(14)15/h2-5,9,13H,6-8,16H2,1H3,(H,17,18)
InChIKeyCXDOXSZLWMXDII-UHFFFAOYSA-N
MW272.29 g/mol
LogP2.00
Rot. Bonds7

About N-(4-amino-2-methylbutyl)-2-(difluoromethoxy)benzamide

N-(4-amino-2-methylbutyl)-2-(difluoromethoxy)benzamide (PubChem CID 66091129) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is N-(4-amino-2-methylbutyl)-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(4-amino-2-methylbutyl)-2-(difluoromethoxy)benzamide
PubChem CID66091129
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC NameN-(4-amino-2-methylbutyl)-2-(difluoromethoxy)benzamide
SMILESCC(CCN)CNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C13H18F2N2O2/c1-9(6-7-16)8-17-12(18)10-4-2-3-5-11(10)19-13(14)15/h2-5,9,13H,6-8,16H2,1H3,(H,17,18)
InChIKeyCXDOXSZLWMXDII-UHFFFAOYSA-N
XLogP2.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-4-methylpentyl)-2-(difluoromethoxy)benzamide
CID 107158740
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-(2-bromo-3-methylbutyl)-2-(difluoromethoxy)benzamide
CID 113492971
N-(4-amino-2-methylbutyl)-2-methylbenzamide
CID 66089966
N-(4-amino-2-methylbutyl)-2-hydroxy-3-methoxybenzamide
CID 66090450
2-[[[2-(difluoromethoxy)benzoyl]amino]methyl]-3-methylbutanoic acid
CID 65220322
N-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide
CID 103770487
N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
CID 81482649
3-[[2-(difluoromethoxy)benzoyl]amino]-2-methoxypropanoic acid
CID 106107907
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
N-(4-bromopentyl)-2-(difluoromethoxy)benzamide
CID 106130417
N-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide
CID 66092297

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylbutyl)-2-(difluoromethoxy)benzamide?
The IUPAC name of N-(4-amino-2-methylbutyl)-2-(difluoromethoxy)benzamide (CID 66091129) is N-(4-amino-2-methylbutyl)-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(4-amino-2-methylbutyl)-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-(4-amino-2-methylbutyl)-2-(difluoromethoxy)benzamide is CC(CCN)CNC(=O)c1ccccc1OC(F)F.
What is the InChIKey of N-(4-amino-2-methylbutyl)-2-(difluoromethoxy)benzamide?
The InChIKey is CXDOXSZLWMXDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-9(6-7-16)8-17-12(18)10-4-2-3-5-11(10)19-13(14)15/h2-5,9,13H,6-8,16H2,1H3,(H,17,18).
What are the key properties of N-(4-amino-2-methylbutyl)-2-(difluoromethoxy)benzamide?
N-(4-amino-2-methylbutyl)-2-(difluoromethoxy)benzamide has a molecular weight of 272.29 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylbutyl)-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 66091129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).