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

C24H25FN2O2 — CID 4919442

IUPACN-[2-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H25FN2O2/c25-18-5-7-19(8-6-18)26-22(28)20-3-1-2-4-21(20)27-23(29)24-12-15-9-16(13-24)11-17(10-15)14-24/h1-8,15-17H,9-14H2,(H,26,28)(H,27,29)
InChIKeyZGUPAOQFOMFPLP-UHFFFAOYSA-N
MW392.47 g/mol
LogP5.23
Rot. Bonds4

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

N-[2-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide (PubChem CID 4919442) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide
PubChem CID4919442
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC NameN-[2-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H25FN2O2/c25-18-5-7-19(8-6-18)26-22(28)20-3-1-2-4-21(20)27-23(29)24-12-15-9-16(13-24)11-17(10-15)14-24/h1-8,15-17H,9-14H2,(H,26,28)(H,27,29)
InChIKeyZGUPAOQFOMFPLP-UHFFFAOYSA-N
XLogP5.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 54787396
N-[3-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 54787575
3-bromo-N-[2-[(4-ethylphenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 5294904
N-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 17233954
N-[4-[(2-chloro-4,5-difluorobenzoyl)amino]phenyl]adamantane-1-carboxamide
CID 2917667
2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
CID 982173
N-(2-amino-4-fluorophenyl)adamantane-1-carboxamide
CID 16773628
N-(2-phenylmethoxyphenyl)adamantane-1-carboxamide
CID 10784818
2-[3-(1-adamantylmethylamino)-2-hydroxypropoxy]-N-(4-fluorophenyl)benzamide
CID 72704374
N-(4-fluorophenyl)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzamide
CID 4063342
N-(3-bromo-4-fluorophenyl)adamantane-1-carboxamide
CID 104779359
N-(4-formamidophenyl)adamantane-1-carboxamide
CID 168653489

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide (CID 4919442) is N-[2-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide is O=C(Nc1ccc(F)cc1)c1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide?
The InChIKey is ZGUPAOQFOMFPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c25-18-5-7-19(8-6-18)26-22(28)20-3-1-2-4-21(20)27-23(29)24-12-15-9-16(13-24)11-17(10-15)14-24/h1-8,15-17H,9-14H2,(H,26,28)(H,27,29).
What are the key properties of N-[2-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide?
N-[2-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide has a molecular weight of 392.47 g/mol, XLogP of 5.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 4919442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).