N-(1-adamantylcarbamoyl)-2-(3,4-difluoroanilino)acetamide

C19H23F2N3O2 — CID 112799804

IUPACN-(1-adamantylcarbamoyl)-2-(3,4-difluoroanilino)acetamide
SMILESO=C(CNc1ccc(F)c(F)c1)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23F2N3O2/c20-15-2-1-14(6-16(15)21)22-10-17(25)23-18(26)24-19-7-11-3-12(8-19)5-13(4-11)9-19/h1-2,6,11-13,22H,3-5,7-10H2,(H2,23,24,25,26)
InChIKeyGPKQIUIZCYDBQL-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.17
Rot. Bonds4

About N-(1-adamantylcarbamoyl)-2-(3,4-difluoroanilino)acetamide

N-(1-adamantylcarbamoyl)-2-(3,4-difluoroanilino)acetamide (PubChem CID 112799804) has the molecular formula C19H23F2N3O2 and a molecular weight of 363.41 g/mol. Its IUPAC name is N-(1-adamantylcarbamoyl)-2-(3,4-difluoroanilino)acetamide.

Molecular Properties

Compound NameN-(1-adamantylcarbamoyl)-2-(3,4-difluoroanilino)acetamide
PubChem CID112799804
Molecular FormulaC19H23F2N3O2
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC NameN-(1-adamantylcarbamoyl)-2-(3,4-difluoroanilino)acetamide
SMILESO=C(CNc1ccc(F)c(F)c1)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23F2N3O2/c20-15-2-1-14(6-16(15)21)22-10-17(25)23-18(26)24-19-7-11-3-12(8-19)5-13(4-11)9-19/h1-2,6,11-13,22H,3-5,7-10H2,(H2,23,24,25,26)
InChIKeyGPKQIUIZCYDBQL-UHFFFAOYSA-N
XLogP3.17
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantylcarbamoyl)-2-(2-methoxyanilino)acetamide
CID 9345285
N-cyclopropyl-2-(3,4-difluoroanilino)acetamide
CID 28579858
(2R)-N-(1-adamantylcarbamoyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9055729
1-(1-adamantyl)-3-(3,5-difluoro-4-hydroxyphenyl)urea
CID 22932395
[2-(1-adamantylamino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376217
3-(1-adamantylcarbamoylamino)-N-(4-fluorophenyl)propanamide
CID 26915513
2-(1-adamantylamino)-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 7666448
N-(1-adamantylcarbamoyl)-2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55374669
[2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9307413
2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide
CID 9098972
N-(cyclopentylcarbamoyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 78795443
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate
CID 4781462

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylcarbamoyl)-2-(3,4-difluoroanilino)acetamide?
The IUPAC name of N-(1-adamantylcarbamoyl)-2-(3,4-difluoroanilino)acetamide (CID 112799804) is N-(1-adamantylcarbamoyl)-2-(3,4-difluoroanilino)acetamide.
What is the SMILES notation for N-(1-adamantylcarbamoyl)-2-(3,4-difluoroanilino)acetamide?
The canonical SMILES for N-(1-adamantylcarbamoyl)-2-(3,4-difluoroanilino)acetamide is O=C(CNc1ccc(F)c(F)c1)NC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylcarbamoyl)-2-(3,4-difluoroanilino)acetamide?
The InChIKey is GPKQIUIZCYDBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O2/c20-15-2-1-14(6-16(15)21)22-10-17(25)23-18(26)24-19-7-11-3-12(8-19)5-13(4-11)9-19/h1-2,6,11-13,22H,3-5,7-10H2,(H2,23,24,25,26).
What are the key properties of N-(1-adamantylcarbamoyl)-2-(3,4-difluoroanilino)acetamide?
N-(1-adamantylcarbamoyl)-2-(3,4-difluoroanilino)acetamide has a molecular weight of 363.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylcarbamoyl)-2-(3,4-difluoroanilino)acetamide is sourced from PubChem (CID 112799804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).