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

C18H16F3NO2 — CID 44515945

IUPAC7-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCc1ccc2c(c1)OC(C(=O)Nc1ccccc1C(F)(F)F)CC2
InChIInChI=1S/C18H16F3NO2/c1-11-6-7-12-8-9-15(24-16(12)10-11)17(23)22-14-5-3-2-4-13(14)18(19,20)21/h2-7,10,15H,8-9H2,1H3,(H,22,23)
InChIKeyOTMWHPCODZKVIV-UHFFFAOYSA-N
MW335.33 g/mol
LogP4.35
Rot. Bonds2

About 7-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide

7-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 44515945) has the molecular formula C18H16F3NO2 and a molecular weight of 335.33 g/mol. Its IUPAC name is 7-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID44515945
Molecular FormulaC18H16F3NO2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC Name7-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCc1ccc2c(c1)OC(C(=O)Nc1ccccc1C(F)(F)F)CC2
InChIInChI=1S/C18H16F3NO2/c1-11-6-7-12-8-9-15(24-16(12)10-11)17(23)22-14-5-3-2-4-13(14)18(19,20)21/h2-7,10,15H,8-9H2,1H3,(H,22,23)
InChIKeyOTMWHPCODZKVIV-UHFFFAOYSA-N
XLogP4.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2,6-dimethyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 92682495
1-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydroisochromene-3-carboxamide
CID 5111630
(2R)-4-methylsulfonyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 93491544
1-N-ethyl-1-N-(3-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143725
N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 166298512
1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 46859836
1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 6470827
2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9286477
N-(4-carbamoylphenyl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 139007058
2-amino-5-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 62511382
(2R)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 6923439
3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103549795

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of 7-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 44515945) is 7-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for 7-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for 7-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide is Cc1ccc2c(c1)OC(C(=O)Nc1ccccc1C(F)(F)F)CC2.
What is the InChIKey of 7-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is OTMWHPCODZKVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2/c1-11-6-7-12-8-9-15(24-16(12)10-11)17(23)22-14-5-3-2-4-13(14)18(19,20)21/h2-7,10,15H,8-9H2,1H3,(H,22,23).
What are the key properties of 7-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide?
7-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 335.33 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 44515945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).