N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide

C21H16F3NO2 — CID 86294771

IUPACN-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1CCc2ccc3ccccc3c2O1
InChIInChI=1S/C21H16F3NO2/c22-21(23,24)15-8-10-16(11-9-15)25-20(26)18-12-7-14-6-5-13-3-1-2-4-17(13)19(14)27-18/h1-6,8-11,18H,7,12H2,(H,25,26)
InChIKeyIJPIYDRMJCOBBT-UHFFFAOYSA-N
MW371.36 g/mol
LogP5.19
Rot. Bonds2

About N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide

N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide (PubChem CID 86294771) has the molecular formula C21H16F3NO2 and a molecular weight of 371.36 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide
PubChem CID86294771
Molecular FormulaC21H16F3NO2
Molecular Weight371.36 g/mol
Exact Mass371.11
IUPAC NameN-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1CCc2ccc3ccccc3c2O1
InChIInChI=1S/C21H16F3NO2/c22-21(23,24)15-8-10-16(11-9-15)25-20(26)18-12-7-14-6-5-13-3-1-2-4-17(13)19(14)27-18/h1-6,8-11,18H,7,12H2,(H,25,26)
InChIKeyIJPIYDRMJCOBBT-UHFFFAOYSA-N
XLogP5.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.36
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Naproanilide
CID 40413
(4-{[(Naphthalen-2-yloxy)acetyl]amino}phenyl)acetic acid
CID 2229004
2-(4-fluorophenoxy)-N-2-naphthylpropanamide
CID 2934294
2-(2-fluorophenoxy)-N-(2-naphthyl)propanamide
CID 5008922
N-naphthalen-2-yl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 36507480
N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide
CID 86294769
N-(4-fluorophenyl)-2-naphthalen-1-yloxyacetamide
CID 835736
N-(4-chlorophenyl)-2-(1-naphthyloxy)-2-phenyl-acetamide
CID 44219886
N-phenyl-4-phenylmethoxynaphthalene-2-carboxamide
CID 162655420
4-{[(Naphthalen-1-yloxy)acetyl]amino}benzamide
CID 4513382
N-[3-[3-[4-(aminomethyl)-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]oxane-2-carboxamide
CID 155288246
N-(4-Methoxyphenyl)-2-(1-naphthyloxy)acetamide
CID 835733

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide (CID 86294771) is N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)C1CCc2ccc3ccccc3c2O1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide?
The InChIKey is IJPIYDRMJCOBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO2/c22-21(23,24)15-8-10-16(11-9-15)25-20(26)18-12-7-14-6-5-13-3-1-2-4-17(13)19(14)27-18/h1-6,8-11,18H,7,12H2,(H,25,26).
What are the key properties of N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide?
N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide has a molecular weight of 371.36 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide is sourced from PubChem (CID 86294771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).