N-(1-adamantyl)-4-chloro-2-fluorobenzamide

C17H19ClFNO — CID 46697450

IUPACN-(1-adamantyl)-4-chloro-2-fluorobenzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1F
InChIInChI=1S/C17H19ClFNO/c18-13-1-2-14(15(19)6-13)16(21)20-17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12H,3-5,7-9H2,(H,20,21)
InChIKeyOEUGHNLSJKHTRB-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.18
Rot. Bonds2

About N-(1-adamantyl)-4-chloro-2-fluorobenzamide

N-(1-adamantyl)-4-chloro-2-fluorobenzamide (PubChem CID 46697450) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is N-(1-adamantyl)-4-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-chloro-2-fluorobenzamide
PubChem CID46697450
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC NameN-(1-adamantyl)-4-chloro-2-fluorobenzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1F
InChIInChI=1S/C17H19ClFNO/c18-13-1-2-14(15(19)6-13)16(21)20-17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12H,3-5,7-9H2,(H,20,21)
InChIKeyOEUGHNLSJKHTRB-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-adamantyl)-2-chloro-4,5-difluorobenzamide
CID 2966846
N-(1-adamantyl)-4-chlorobenzamide
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N-(1-adamantyl)-4-fluoro-2-methylbenzamide
CID 115745078
N-(1-adamantyl)-2-chloro-4-methylbenzamide
CID 2906667
N-(1-adamantyl)-4-hydroxy-2-methylbenzamide
CID 103863609
N-(1-adamantyl)-5-fluoro-2-hydroxybenzamide
CID 115298818
N-(1-adamantyl)-2,5-dimethylbenzamide
CID 7732516
N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2,4-difluorobenzamide
CID 172646980
N-(1-adamantyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
CID 3309301
N'-(1-adamantyl)-2,5-dichlorobenzohydrazide
CID 134120732
5-acetamido-N-(1-adamantyl)-2-chlorobenzamide
CID 50957907
N-(1-adamantyl)-2-fluoro-6-hydroxybenzamide
CID 104916407

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-chloro-2-fluorobenzamide?
The IUPAC name of N-(1-adamantyl)-4-chloro-2-fluorobenzamide (CID 46697450) is N-(1-adamantyl)-4-chloro-2-fluorobenzamide.
What is the SMILES notation for N-(1-adamantyl)-4-chloro-2-fluorobenzamide?
The canonical SMILES for N-(1-adamantyl)-4-chloro-2-fluorobenzamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1F.
What is the InChIKey of N-(1-adamantyl)-4-chloro-2-fluorobenzamide?
The InChIKey is OEUGHNLSJKHTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c18-13-1-2-14(15(19)6-13)16(21)20-17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12H,3-5,7-9H2,(H,20,21).
What are the key properties of N-(1-adamantyl)-4-chloro-2-fluorobenzamide?
N-(1-adamantyl)-4-chloro-2-fluorobenzamide has a molecular weight of 307.80 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-chloro-2-fluorobenzamide is sourced from PubChem (CID 46697450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).