N-[2-(2-fluorophenoxy)ethyl]-9H-xanthene-9-carboxamide

C22H18FNO3 — CID 7927585

IUPACN-[2-(2-fluorophenoxy)ethyl]-9H-xanthene-9-carboxamide
SMILESO=C(NCCOc1ccccc1F)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H18FNO3/c23-17-9-3-6-12-20(17)26-14-13-24-22(25)21-15-7-1-4-10-18(15)27-19-11-5-2-8-16(19)21/h1-12,21H,13-14H2,(H,24,25)
InChIKeyFTEWBQNIZCLMKU-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.26
Rot. Bonds5

About N-[2-(2-fluorophenoxy)ethyl]-9H-xanthene-9-carboxamide

N-[2-(2-fluorophenoxy)ethyl]-9H-xanthene-9-carboxamide (PubChem CID 7927585) has the molecular formula C22H18FNO3 and a molecular weight of 363.39 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-9H-xanthene-9-carboxamide
PubChem CID7927585
Molecular FormulaC22H18FNO3
Molecular Weight363.39 g/mol
Exact Mass363.13
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-9H-xanthene-9-carboxamide
SMILESO=C(NCCOc1ccccc1F)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H18FNO3/c23-17-9-3-6-12-20(17)26-14-13-24-22(25)21-15-7-1-4-10-18(15)27-19-11-5-2-8-16(19)21/h1-12,21H,13-14H2,(H,24,25)
InChIKeyFTEWBQNIZCLMKU-UHFFFAOYSA-N
XLogP4.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-9H-xanthene-9-carboxamide
CID 22585389
N-[2-(2-fluorophenoxy)ethyl]cyclopent-3-ene-1-carboxamide
CID 131923892
N-[2-(2-methoxyethylamino)-2-oxoethyl]-9H-xanthene-9-carboxamide
CID 9246931
N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459
2-(2-fluorophenoxy)ethylhydrazine
CID 82125131
(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119266845
N-[(2-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
CID 669612
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-4-methylpentanamide
CID 110482461
N-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxamide
CID 110481245
(1S,3S,4S)-3-amino-N-[2-(2-fluorophenoxy)ethyl]-4-hydroxycyclopentane-1-carboxamide
CID 155509778
1-[2-(2-fluorophenoxy)ethyl]-3-phenylurea
CID 43010864
tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
CID 54333211

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-9H-xanthene-9-carboxamide (CID 7927585) is N-[2-(2-fluorophenoxy)ethyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-9H-xanthene-9-carboxamide is O=C(NCCOc1ccccc1F)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-9H-xanthene-9-carboxamide?
The InChIKey is FTEWBQNIZCLMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO3/c23-17-9-3-6-12-20(17)26-14-13-24-22(25)21-15-7-1-4-10-18(15)27-19-11-5-2-8-16(19)21/h1-12,21H,13-14H2,(H,24,25).
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-9H-xanthene-9-carboxamide?
N-[2-(2-fluorophenoxy)ethyl]-9H-xanthene-9-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 7927585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).