N-[(2-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide

C18H16FNO2 — CID 51211502

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C18H16FNO2/c1-20(11-14-7-2-4-8-16(14)19)18(21)15-10-13-6-3-5-9-17(13)22-12-15/h2-10H,11-12H2,1H3
InChIKeyNUQAPGZBLHVQHZ-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.26
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide

N-[(2-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide (PubChem CID 51211502) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide
PubChem CID51211502
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C18H16FNO2/c1-20(11-14-7-2-4-8-16(14)19)18(21)15-10-13-6-3-5-9-17(13)22-12-15/h2-10H,11-12H2,1H3
InChIKeyNUQAPGZBLHVQHZ-UHFFFAOYSA-N
XLogP3.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide
CID 18200369
N-[(2R)-2-cyanopropyl]-N-methyl-2H-chromene-3-carboxamide
CID 94815129
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
3,5-difluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78769060
N-[(2S)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-2H-chromene-3-carboxamide
CID 96570760
N-(2-fluorophenyl)-2H-chromene-3-carboxamide
CID 7464960
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2H-chromene-3-carboxamide
CID 75538254
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
2-bromo-6-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 115678174
N-[(2-fluorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 134057045
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
4-carbamothioyl-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 55729757

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide (CID 51211502) is N-[(2-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide is CN(Cc1ccccc1F)C(=O)C1=Cc2ccccc2OC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide?
The InChIKey is NUQAPGZBLHVQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-20(11-14-7-2-4-8-16(14)19)18(21)15-10-13-6-3-5-9-17(13)22-12-15/h2-10H,11-12H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide?
N-[(2-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide has a molecular weight of 297.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide is sourced from PubChem (CID 51211502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).