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

C15H22F2N2O2 — CID 115309796

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-(difluoromethoxy)benzamide
SMILESCC(C)CC(C)(CN)NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C15H22F2N2O2/c1-10(2)8-15(3,9-18)19-13(20)11-6-4-5-7-12(11)21-14(16)17/h4-7,10,14H,8-9,18H2,1-3H3,(H,19,20)
InChIKeyKYQNUVDBJQQRME-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.78
Rot. Bonds7

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

N-(1-amino-2,4-dimethylpentan-2-yl)-2-(difluoromethoxy)benzamide (PubChem CID 115309796) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(difluoromethoxy)benzamide
PubChem CID115309796
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(difluoromethoxy)benzamide
SMILESCC(C)CC(C)(CN)NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C15H22F2N2O2/c1-10(2)8-15(3,9-18)19-13(20)11-6-4-5-7-12(11)21-14(16)17/h4-7,10,14H,8-9,18H2,1-3H3,(H,19,20)
InChIKeyKYQNUVDBJQQRME-UHFFFAOYSA-N
XLogP2.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-2,4-dimethylpentan-2-yl)-2-(difluoromethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-(difluoromethoxy)benzamide
CID 63193542
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide
CID 81487529
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 119600077
N-(1-bromo-2-methylpropan-2-yl)-2-(difluoromethoxy)benzamide
CID 113274119
N-(2-cyanobutan-2-yl)-2-(difluoromethoxy)benzamide
CID 61119977
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzamide
CID 81486385
N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
CID 81482649
N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 119599272
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(difluoromethoxy)benzamide
CID 39963779
N-(1-amino-2,4-dimethylpentan-2-yl)-3-bromo-2-methylbenzamide
CID 81485460
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methoxybenzamide
CID 115369688
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(difluoromethoxy)benzamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(difluoromethoxy)benzamide (CID 115309796) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(difluoromethoxy)benzamide is CC(C)CC(C)(CN)NC(=O)c1ccccc1OC(F)F.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(difluoromethoxy)benzamide?
The InChIKey is KYQNUVDBJQQRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-10(2)8-15(3,9-18)19-13(20)11-6-4-5-7-12(11)21-14(16)17/h4-7,10,14H,8-9,18H2,1-3H3,(H,19,20).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(difluoromethoxy)benzamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(difluoromethoxy)benzamide has a molecular weight of 300.35 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 115309796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).