N-[(3-fluorophenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide

C22H18FNO2 — CID 9094452

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H18FNO2/c1-24(14-15-7-6-8-16(23)13-15)22(25)21-17-9-2-4-11-19(17)26-20-12-5-3-10-18(20)21/h2-13,21H,14H2,1H3
InChIKeyXXAAZRRPRLNZRP-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.72
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide

N-[(3-fluorophenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide (PubChem CID 9094452) has the molecular formula C22H18FNO2 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide
PubChem CID9094452
Molecular FormulaC22H18FNO2
Molecular Weight347.39 g/mol
Exact Mass347.13
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H18FNO2/c1-24(14-15-7-6-8-16(23)13-15)22(25)21-17-9-2-4-11-19(17)26-20-12-5-3-10-18(20)21/h2-13,21H,14H2,1H3
InChIKeyXXAAZRRPRLNZRP-UHFFFAOYSA-N
XLogP4.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide
CID 51114604
(3R)-N-[(3-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9094456
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
(2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-2-carboxamide
CID 120783700
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 28802517
2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 43211990
1-cyano-N-[(3-fluorophenyl)methyl]-N-methylformamide
CID 115172406
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide
CID 4783340
2-amino-3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 115179409
2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 43211988
N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 60636361

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide (CID 9094452) is N-[(3-fluorophenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide is CN(Cc1cccc(F)c1)C(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide?
The InChIKey is XXAAZRRPRLNZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO2/c1-24(14-15-7-6-8-16(23)13-15)22(25)21-17-9-2-4-11-19(17)26-20-12-5-3-10-18(20)21/h2-13,21H,14H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide?
N-[(3-fluorophenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide is sourced from PubChem (CID 9094452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).