N-[(4-fluoro-3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

C18H18FNO2 — CID 46674166

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1cc(CNC(=O)C2COc3ccccc3C2)ccc1F
InChIInChI=1S/C18H18FNO2/c1-12-8-13(6-7-16(12)19)10-20-18(21)15-9-14-4-2-3-5-17(14)22-11-15/h2-8,15H,9-11H2,1H3,(H,20,21)
InChIKeyLNORPMGALOORDR-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.00
Rot. Bonds3

About N-[(4-fluoro-3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[(4-fluoro-3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 46674166) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID46674166
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1cc(CNC(=O)C2COc3ccccc3C2)ccc1F
InChIInChI=1S/C18H18FNO2/c1-12-8-13(6-7-16(12)19)10-20-18(21)15-9-14-4-2-3-5-17(14)22-11-15/h2-8,15H,9-11H2,1H3,(H,20,21)
InChIKeyLNORPMGALOORDR-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713196
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
1-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 51950421
N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 115577899
(3R)-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51546919
(3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713220
(3S)-N-(furan-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97275381
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
(3R)-6-chloro-N-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 25465679
(3S)-N-[(2,4-dichlorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9244994
6-chloro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 17461192
(3S)-6-chloro-N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9092926

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 46674166) is N-[(4-fluoro-3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is Cc1cc(CNC(=O)C2COc3ccccc3C2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is LNORPMGALOORDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-12-8-13(6-7-16(12)19)10-20-18(21)15-9-14-4-2-3-5-17(14)22-11-15/h2-8,15H,9-11H2,1H3,(H,20,21).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[(4-fluoro-3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 299.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 46674166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).