2,2,2-trifluoro-N-methyl-N-[2-methyl-5-(2-oxochromen-3-yl)phenyl]acetamide

C19H14F3NO3 — CID 91688893

IUPAC2,2,2-trifluoro-N-methyl-N-[2-methyl-5-(2-oxochromen-3-yl)phenyl]acetamide
SMILESCc1ccc(-c2cc3ccccc3oc2=O)cc1N(C)C(=O)C(F)(F)F
InChIInChI=1S/C19H14F3NO3/c1-11-7-8-12(10-15(11)23(2)18(25)19(20,21)22)14-9-13-5-3-4-6-16(13)26-17(14)24/h3-10H,1-2H3
InChIKeyRKOYRTUZPFHTGY-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.29
Rot. Bonds2

About 2,2,2-trifluoro-N-methyl-N-[2-methyl-5-(2-oxochromen-3-yl)phenyl]acetamide

2,2,2-trifluoro-N-methyl-N-[2-methyl-5-(2-oxochromen-3-yl)phenyl]acetamide (PubChem CID 91688893) has the molecular formula C19H14F3NO3 and a molecular weight of 361.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[2-methyl-5-(2-oxochromen-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[2-methyl-5-(2-oxochromen-3-yl)phenyl]acetamide
PubChem CID91688893
Molecular FormulaC19H14F3NO3
Molecular Weight361.32 g/mol
Exact Mass361.09
IUPAC Name2,2,2-trifluoro-N-methyl-N-[2-methyl-5-(2-oxochromen-3-yl)phenyl]acetamide
SMILESCc1ccc(-c2cc3ccccc3oc2=O)cc1N(C)C(=O)C(F)(F)F
InChIInChI=1S/C19H14F3NO3/c1-11-7-8-12(10-15(11)23(2)18(25)19(20,21)22)14-9-13-5-3-4-6-16(13)26-17(14)24/h3-10H,1-2H3
InChIKeyRKOYRTUZPFHTGY-UHFFFAOYSA-N
XLogP4.29
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2,2,2-trifluoro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]acetamide
CID 91688901
4-(2-oxochromen-3-yl)benzoate
CID 4249737
3-phenylchromen-2-one;hydrochloride
CID 141206894
4-(2-oxochromen-3-yl)-N-(2,4,6-trimethylphenyl)benzamide
CID 3893067
N-[3-(2-oxochromen-3-yl)phenyl]acetamide
CID 17102592
N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-3-(2-oxochromen-3-yl)benzamide
CID 171912909
N-(4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide
CID 4237295
2,2,2-trifluoro-N-methyl-N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]acetamide
CID 162535694
[4-(2-oxochromen-3-yl)phenyl]arsonic acid
CID 154199861
5-(3,4-dimethylphenyl)-N-[[2-methyl-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]furan-2-carboxamide
CID 3914556
4-(2-oxochromen-3-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 4243574
methyl (2S)-2-[4-(2-oxochromen-3-yl)phenoxy]propanoate
CID 42155073

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-methyl-5-(2-oxochromen-3-yl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-methyl-5-(2-oxochromen-3-yl)phenyl]acetamide (CID 91688893) is 2,2,2-trifluoro-N-methyl-N-[2-methyl-5-(2-oxochromen-3-yl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[2-methyl-5-(2-oxochromen-3-yl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[2-methyl-5-(2-oxochromen-3-yl)phenyl]acetamide is Cc1ccc(-c2cc3ccccc3oc2=O)cc1N(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[2-methyl-5-(2-oxochromen-3-yl)phenyl]acetamide?
The InChIKey is RKOYRTUZPFHTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO3/c1-11-7-8-12(10-15(11)23(2)18(25)19(20,21)22)14-9-13-5-3-4-6-16(13)26-17(14)24/h3-10H,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[2-methyl-5-(2-oxochromen-3-yl)phenyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[2-methyl-5-(2-oxochromen-3-yl)phenyl]acetamide has a molecular weight of 361.32 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[2-methyl-5-(2-oxochromen-3-yl)phenyl]acetamide is sourced from PubChem (CID 91688893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).