6-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboxamide

C20H21FN2O4 — CID 53123288

IUPAC6-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOCCNC(=O)C1COc2ccc(NC(=O)c3ccc(F)cc3)cc2C1
InChIInChI=1S/C20H21FN2O4/c1-26-9-8-22-19(24)15-10-14-11-17(6-7-18(14)27-12-15)23-20(25)13-2-4-16(21)5-3-13/h2-7,11,15H,8-10,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyYSNWIFFPDWHOFE-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.39
Rot. Bonds6

About 6-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboxamide

6-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 53123288) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is 6-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID53123288
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name6-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOCCNC(=O)C1COc2ccc(NC(=O)c3ccc(F)cc3)cc2C1
InChIInChI=1S/C20H21FN2O4/c1-26-9-8-22-19(24)15-10-14-11-17(6-7-18(14)27-12-15)23-20(25)13-2-4-16(21)5-3-13/h2-7,11,15H,8-10,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyYSNWIFFPDWHOFE-UHFFFAOYSA-N
XLogP2.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-6-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091521
(3S)-N-(3-methoxypropyl)-6-[(4-methylbenzoyl)amino]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091055
(3S)-6-[(4-fluorobenzoyl)amino]-N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091127
(3S)-N-(2-methoxyethyl)-6-(2-methylpropanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091237
(3S)-6-[(4-fluorobenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091102
(3R)-6-benzamido-N-(3-methylbutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091374
6-acetamido-N-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123420
(3S)-6-[(4-methoxybenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091455
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17218182
N-[(4-fluorophenyl)methyl]-6-(3-methylbutanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123375
(3S)-N-[2-(4-fluorophenoxy)ethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050059
(3R)-6-[(4-chlorobenzoyl)amino]-N-cyclopropyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091533

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 53123288) is 6-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboxamide is COCCNC(=O)C1COc2ccc(NC(=O)c3ccc(F)cc3)cc2C1.
What is the InChIKey of 6-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is YSNWIFFPDWHOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-26-9-8-22-19(24)15-10-14-11-17(6-7-18(14)27-12-15)23-20(25)13-2-4-16(21)5-3-13/h2-7,11,15H,8-10,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 6-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
6-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 53123288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).