6-ethoxy-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

C22H23F3N2O4 — CID 86896247

IUPAC6-ethoxy-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCOc1ccc2c(c1)CC(C(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1)CO2
InChIInChI=1S/C22H23F3N2O4/c1-2-30-18-7-8-19-15(12-18)11-16(13-31-19)21(29)27-10-9-26-20(28)14-3-5-17(6-4-14)22(23,24)25/h3-8,12,16H,2,9-11,13H2,1H3,(H,26,28)(H,27,29)
InChIKeyFBENWMPLXRDLTM-UHFFFAOYSA-N
MW436.43 g/mol
LogP3.20
Rot. Bonds7

About 6-ethoxy-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

6-ethoxy-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 86896247) has the molecular formula C22H23F3N2O4 and a molecular weight of 436.43 g/mol. Its IUPAC name is 6-ethoxy-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID86896247
Molecular FormulaC22H23F3N2O4
Molecular Weight436.43 g/mol
Exact Mass436.16
IUPAC Name6-ethoxy-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCOc1ccc2c(c1)CC(C(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1)CO2
InChIInChI=1S/C22H23F3N2O4/c1-2-30-18-7-8-19-15(12-18)11-16(13-31-19)21(29)27-10-9-26-20(28)14-3-5-17(6-4-14)22(23,24)25/h3-8,12,16H,2,9-11,13H2,1H3,(H,26,28)(H,27,29)
InChIKeyFBENWMPLXRDLTM-UHFFFAOYSA-N
XLogP3.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.20
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

6-ethoxy-N-[2-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 86962053
N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-ethoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 86896269
6-ethoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 120831058
N-(2-benzamidophenyl)-6-ethoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 86896297
6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230
6-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46616259
(3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713318
3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
CID 119350891
6-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 86897008
2-[(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)-methylamino]acetic acid
CID 119172257
6-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123288
2-thiophen-2-ylethyl 6-ethoxy-3,4-dihydro-2H-chromene-3-carboxylate
CID 86897194

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-ethoxy-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 86896247) is 6-ethoxy-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is CCOc1ccc2c(c1)CC(C(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1)CO2.
What is the InChIKey of 6-ethoxy-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is FBENWMPLXRDLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O4/c1-2-30-18-7-8-19-15(12-18)11-16(13-31-19)21(29)27-10-9-26-20(28)14-3-5-17(6-4-14)22(23,24)25/h3-8,12,16H,2,9-11,13H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 6-ethoxy-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-ethoxy-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 436.43 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 86896247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).