N-(1-amino-2,4-dimethylpentan-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide

C16H24F2N2O3 — CID 119600077

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(C)(CN)CC(C)C)ccc1OC(F)F
InChIInChI=1S/C16H24F2N2O3/c1-10(2)8-16(3,9-19)20-14(21)11-5-6-12(23-15(17)18)13(7-11)22-4/h5-7,10,15H,8-9,19H2,1-4H3,(H,20,21)
InChIKeyQALQWPMDMNTXNX-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.79
Rot. Bonds8

About N-(1-amino-2,4-dimethylpentan-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide

N-(1-amino-2,4-dimethylpentan-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 119600077) has the molecular formula C16H24F2N2O3 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
PubChem CID119600077
Molecular FormulaC16H24F2N2O3
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(C)(CN)CC(C)C)ccc1OC(F)F
InChIInChI=1S/C16H24F2N2O3/c1-10(2)8-16(3,9-19)20-14(21)11-5-6-12(23-15(17)18)13(7-11)22-4/h5-7,10,15H,8-9,19H2,1-4H3,(H,20,21)
InChIKeyQALQWPMDMNTXNX-UHFFFAOYSA-N
XLogP2.79
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide
CID 81487072
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride
CID 119598009
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(difluoromethoxy)benzamide
CID 115309796
4-(difluoromethoxy)-N-(1,1-diphenylethyl)-3-methoxybenzamide
CID 56522794
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-3-fluorobenzamide;hydrochloride
CID 119597808
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
N-(1-amino-2,4-dimethylpentan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119597907
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide
CID 119598512
N-(1-amino-2,4-dimethylpentan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119600055
1-tert-butyl-3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]thiourea
CID 9425633
N-(1-amino-2,4-dimethylpentan-2-yl)-1H-indole-5-carboxamide
CID 115309725
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methoxybenzamide
CID 115369688

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide (CID 119600077) is N-(1-amino-2,4-dimethylpentan-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide is COc1cc(C(=O)NC(C)(CN)CC(C)C)ccc1OC(F)F.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is QALQWPMDMNTXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O3/c1-10(2)8-16(3,9-19)20-14(21)11-5-6-12(23-15(17)18)13(7-11)22-4/h5-7,10,15H,8-9,19H2,1-4H3,(H,20,21).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 330.38 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 119600077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).