N-(4-ethoxy-3-fluorophenyl)adamantane-1-carboxamide

C19H24FNO2 — CID 60538227

IUPACN-(4-ethoxy-3-fluorophenyl)adamantane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1F
InChIInChI=1S/C19H24FNO2/c1-2-23-17-4-3-15(8-16(17)20)21-18(22)19-9-12-5-13(10-19)7-14(6-12)11-19/h3-4,8,12-14H,2,5-7,9-11H2,1H3,(H,21,22)
InChIKeyYMRPGXPCHDKLMT-UHFFFAOYSA-N
MW317.40 g/mol
LogP4.38
Rot. Bonds4

About N-(4-ethoxy-3-fluorophenyl)adamantane-1-carboxamide

N-(4-ethoxy-3-fluorophenyl)adamantane-1-carboxamide (PubChem CID 60538227) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is N-(4-ethoxy-3-fluorophenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-fluorophenyl)adamantane-1-carboxamide
PubChem CID60538227
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC NameN-(4-ethoxy-3-fluorophenyl)adamantane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1F
InChIInChI=1S/C19H24FNO2/c1-2-23-17-4-3-15(8-16(17)20)21-18(22)19-9-12-5-13(10-19)7-14(6-12)11-19/h3-4,8,12-14H,2,5-7,9-11H2,1H3,(H,21,22)
InChIKeyYMRPGXPCHDKLMT-UHFFFAOYSA-N
XLogP4.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3,4-diethoxyanilino)-3-oxopropyl]adamantane-1-carboxamide
CID 16557267
N-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 4231601
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
N-(3-bromo-4-fluorophenyl)adamantane-1-carboxamide
CID 104779359
1-(1-adamantyl)-3-(3,4-diethoxyphenyl)urea
CID 108896002
N-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944880
3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 96672740
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]adamantane-1-carboxamide
CID 33126209
1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea
CID 47307419
N-(4-ethoxy-3-fluorophenyl)-3,3-dimethylbutanamide
CID 110777393
2-bromo-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 107905692
1-N,3-N-bis(3,4-dimethoxyphenyl)adamantane-1,3-dicarboxamide
CID 2964586

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-fluorophenyl)adamantane-1-carboxamide?
The IUPAC name of N-(4-ethoxy-3-fluorophenyl)adamantane-1-carboxamide (CID 60538227) is N-(4-ethoxy-3-fluorophenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(4-ethoxy-3-fluorophenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(4-ethoxy-3-fluorophenyl)adamantane-1-carboxamide is CCOc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1F.
What is the InChIKey of N-(4-ethoxy-3-fluorophenyl)adamantane-1-carboxamide?
The InChIKey is YMRPGXPCHDKLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2/c1-2-23-17-4-3-15(8-16(17)20)21-18(22)19-9-12-5-13(10-19)7-14(6-12)11-19/h3-4,8,12-14H,2,5-7,9-11H2,1H3,(H,21,22).
What are the key properties of N-(4-ethoxy-3-fluorophenyl)adamantane-1-carboxamide?
N-(4-ethoxy-3-fluorophenyl)adamantane-1-carboxamide has a molecular weight of 317.40 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-fluorophenyl)adamantane-1-carboxamide is sourced from PubChem (CID 60538227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).