N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide

C20H25F2NO2 — CID 5162241

IUPACN-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide
SMILESCC(NC(=O)c1ccc(OC(F)F)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25F2NO2/c1-12(20-9-13-6-14(10-20)8-15(7-13)11-20)23-18(24)16-2-4-17(5-3-16)25-19(21)22/h2-5,12-15,19H,6-11H2,1H3,(H,23,24)
InChIKeyKHRWTNUULRBOHS-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.62
Rot. Bonds5

About N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide

N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide (PubChem CID 5162241) has the molecular formula C20H25F2NO2 and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide
PubChem CID5162241
Molecular FormulaC20H25F2NO2
Molecular Weight349.42 g/mol
Exact Mass349.19
IUPAC NameN-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide
SMILESCC(NC(=O)c1ccc(OC(F)F)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25F2NO2/c1-12(20-9-13-6-14(10-20)8-15(7-13)11-20)23-18(24)16-2-4-17(5-3-16)25-19(21)22/h2-5,12-15,19H,6-11H2,1H3,(H,23,24)
InChIKeyKHRWTNUULRBOHS-UHFFFAOYSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-N-(3-oxo-3-((1,2,3,4-tetrahydronaphthalen-1-yl)amino)propyl)-4-(trifluoromethoxy)benzamide
CID 71768304
N-(4-methoxyphenethyl)benzamide
CID 3083797
N-(4-methoxybenzyl)biphenyl-4-carboxamide
CID 710674
N-(3,3-Dimethyl-cyclopentyl)-4-hexyloxy-benzamide
CID 10870843
N-(3,3-Dimethyl-butyl)-4-hexyloxy-benzamide
CID 10979664
N-(3-(trifluoromethyl)benzyl)-4-phenoxybenzamide
CID 11703439
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide hydrochloride
CID 14783871
trans-N-methyl-4-[4-(3-Adamantan-1-yl-ureido)-cyclohexyloxy]-benzamide
CID 71682499
4-methoxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 137363359
4-methoxy-N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)benzamide
CID 739206
Benzamide, N,N'-(2,2-dimethyl-1,3-propanediyl)bis(4-methoxy-
CID 2850150
N-cyclooctyl-4-ethoxybenzamide
CID 3267472

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide (CID 5162241) is N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide is CC(NC(=O)c1ccc(OC(F)F)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide?
The InChIKey is KHRWTNUULRBOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2NO2/c1-12(20-9-13-6-14(10-20)8-15(7-13)11-20)23-18(24)16-2-4-17(5-3-16)25-19(21)22/h2-5,12-15,19H,6-11H2,1H3,(H,23,24).
What are the key properties of N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide?
N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide has a molecular weight of 349.42 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 5162241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).