N-[3-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide

C24H25FN2O2 — CID 54787575

IUPACN-[3-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C24H25FN2O2/c25-19-4-6-20(7-5-19)26-22(28)18-2-1-3-21(11-18)27-23(29)24-12-15-8-16(13-24)10-17(9-15)14-24/h1-7,11,15-17H,8-10,12-14H2,(H,26,28)(H,27,29)
InChIKeyWAOPQKLBRRVJSE-UHFFFAOYSA-N
MW392.47 g/mol
LogP5.23
Rot. Bonds4

About N-[3-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide

N-[3-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide (PubChem CID 54787575) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide
PubChem CID54787575
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC NameN-[3-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C24H25FN2O2/c25-19-4-6-20(7-5-19)26-22(28)18-2-1-3-21(11-18)27-23(29)24-12-15-8-16(13-24)10-17(9-15)14-24/h1-7,11,15-17H,8-10,12-14H2,(H,26,28)(H,27,29)
InChIKeyWAOPQKLBRRVJSE-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-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 35109336
N-[2-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 4919442
N-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]adamantane-1-carboxamide
CID 54787676
N-(3-hydroxyphenyl)adamantane-1-carboxamide
CID 4623893
3-(carbamoylamino)-N-(4-fluorophenyl)benzamide
CID 8744972
N-[3-(1-phenylethylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 54787602
N-(3-bromo-4-fluorophenyl)adamantane-1-carboxamide
CID 104779359
N-[[3-[(3-chlorophenyl)carbamoyl]phenyl]carbamothioyl]adamantane-1-carboxamide
CID 54787686
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]adamantane-1-carboxamide
CID 10163454
N-[4-[(2-chloro-4,5-difluorobenzoyl)amino]phenyl]adamantane-1-carboxamide
CID 2917667
N-(4-fluorophenyl)-3-(2-methylpropanoylamino)benzamide
CID 889139
N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide
CID 26158826

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide (CID 54787575) is N-[3-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide is O=C(Nc1ccc(F)cc1)c1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-[3-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide?
The InChIKey is WAOPQKLBRRVJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c25-19-4-6-20(7-5-19)26-22(28)18-2-1-3-21(11-18)27-23(29)24-12-15-8-16(13-24)10-17(9-15)14-24/h1-7,11,15-17H,8-10,12-14H2,(H,26,28)(H,27,29).
What are the key properties of N-[3-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide?
N-[3-[(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-[3-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 54787575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).