N-[4-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]adamantane-1-carboxamide

C25H27FN2O2 — CID 9455070

IUPACN-[4-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]adamantane-1-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(F)c1
InChIInChI=1S/C25H27FN2O2/c1-15-2-7-22(21(26)8-15)28-23(29)19-3-5-20(6-4-19)27-24(30)25-12-16-9-17(13-25)11-18(10-16)14-25/h2-8,16-18H,9-14H2,1H3,(H,27,30)(H,28,29)
InChIKeyHERCXWLNOLNVKP-UHFFFAOYSA-N
MW406.50 g/mol
LogP5.54
Rot. Bonds4

About N-[4-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]adamantane-1-carboxamide

N-[4-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]adamantane-1-carboxamide (PubChem CID 9455070) has the molecular formula C25H27FN2O2 and a molecular weight of 406.50 g/mol. Its IUPAC name is N-[4-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]adamantane-1-carboxamide
PubChem CID9455070
Molecular FormulaC25H27FN2O2
Molecular Weight406.50 g/mol
Exact Mass406.21
IUPAC NameN-[4-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]adamantane-1-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(F)c1
InChIInChI=1S/C25H27FN2O2/c1-15-2-7-22(21(26)8-15)28-23(29)19-3-5-20(6-4-19)27-24(30)25-12-16-9-17(13-25)11-18(10-16)14-25/h2-8,16-18H,9-14H2,1H3,(H,27,30)(H,28,29)
InChIKeyHERCXWLNOLNVKP-UHFFFAOYSA-N
XLogP5.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.50
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 762997
N-(4-acetylphenyl)adamantane-1-carboxamide
CID 2836424
methyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate
CID 26522804
N-[3-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 54787575
4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide
CID 55163065
4-[[(3S,6R)-tricyclo[4.3.1.13,8]undecane-1-carbonyl]amino]benzoic acid
CID 6990096
4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049592
3-amino-4-bromo-N-(2-fluoro-4-methylphenyl)benzamide
CID 61093746
N-(4-trimethylsilylphenyl)adamantane-1-carboxamide
CID 171577278
N-(2-amino-4-fluorophenyl)adamantane-1-carboxamide
CID 16773628
N-(4-formylphenyl)adamantane-1-carboxamide
CID 106912217
N-(4-formamidophenyl)adamantane-1-carboxamide
CID 168653489

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[4-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]adamantane-1-carboxamide (CID 9455070) is N-[4-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]adamantane-1-carboxamide is Cc1ccc(NC(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(F)c1.
What is the InChIKey of N-[4-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]adamantane-1-carboxamide?
The InChIKey is HERCXWLNOLNVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O2/c1-15-2-7-22(21(26)8-15)28-23(29)19-3-5-20(6-4-19)27-24(30)25-12-16-9-17(13-25)11-18(10-16)14-25/h2-8,16-18H,9-14H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[4-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]adamantane-1-carboxamide?
N-[4-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]adamantane-1-carboxamide has a molecular weight of 406.50 g/mol, XLogP of 5.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 9455070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).