N-[4-[[2-oxo-6-(trifluoromethyl)-1H-indol-3-ylidene]methyl]phenyl]acetamide

C18H13F3N2O2 — CID 2768382

IUPACN-[4-[[2-oxo-6-(trifluoromethyl)-1H-indol-3-ylidene]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C=C2C(=O)Nc3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C18H13F3N2O2/c1-10(24)22-13-5-2-11(3-6-13)8-15-14-7-4-12(18(19,20)21)9-16(14)23-17(15)25/h2-9H,1H3,(H,22,24)(H,23,25)
InChIKeyYBOPPFZBKYAFKJ-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.16
Rot. Bonds2

About N-[4-[[2-oxo-6-(trifluoromethyl)-1H-indol-3-ylidene]methyl]phenyl]acetamide

N-[4-[[2-oxo-6-(trifluoromethyl)-1H-indol-3-ylidene]methyl]phenyl]acetamide (PubChem CID 2768382) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is N-[4-[[2-oxo-6-(trifluoromethyl)-1H-indol-3-ylidene]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-oxo-6-(trifluoromethyl)-1H-indol-3-ylidene]methyl]phenyl]acetamide
PubChem CID2768382
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC NameN-[4-[[2-oxo-6-(trifluoromethyl)-1H-indol-3-ylidene]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C=C2C(=O)Nc3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C18H13F3N2O2/c1-10(24)22-13-5-2-11(3-6-13)8-15-14-7-4-12(18(19,20)21)9-16(14)23-17(15)25/h2-9H,1H3,(H,22,24)(H,23,25)
InChIKeyYBOPPFZBKYAFKJ-UHFFFAOYSA-N
XLogP4.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-[4-[[2-oxo-6-(trifluoromethyl)-1H-indol-3-ylidene]methyl]phenyl]acetamide 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

N-[4-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]acetamide
CID 2360372
(3E)-3-[(4-butoxyphenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 21373979
(3Z)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 126107167
3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 54490013
(3E)-3-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 21373991
(3E)-3-[[4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 21374178
(3Z)-3-[(2-fluorophenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 955415
5-fluoro-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
CID 71246090
(3Z)-3-(naphthalen-1-ylmethylidene)-6-(trifluoromethyl)-1H-indol-2-one
CID 126112448
2-(diethylamino)-N-[2,4-dimethyl-5-[(Z)-[2-oxo-6-(trifluoromethyl)-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]acetamide
CID 54759975
1-[2-fluoro-5-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 68710385
(3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 955225

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-oxo-6-(trifluoromethyl)-1H-indol-3-ylidene]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-oxo-6-(trifluoromethyl)-1H-indol-3-ylidene]methyl]phenyl]acetamide (CID 2768382) is N-[4-[[2-oxo-6-(trifluoromethyl)-1H-indol-3-ylidene]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-oxo-6-(trifluoromethyl)-1H-indol-3-ylidene]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-oxo-6-(trifluoromethyl)-1H-indol-3-ylidene]methyl]phenyl]acetamide is CC(=O)Nc1ccc(C=C2C(=O)Nc3cc(C(F)(F)F)ccc32)cc1.
What is the InChIKey of N-[4-[[2-oxo-6-(trifluoromethyl)-1H-indol-3-ylidene]methyl]phenyl]acetamide?
The InChIKey is YBOPPFZBKYAFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c1-10(24)22-13-5-2-11(3-6-13)8-15-14-7-4-12(18(19,20)21)9-16(14)23-17(15)25/h2-9H,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[[2-oxo-6-(trifluoromethyl)-1H-indol-3-ylidene]methyl]phenyl]acetamide?
N-[4-[[2-oxo-6-(trifluoromethyl)-1H-indol-3-ylidene]methyl]phenyl]acetamide has a molecular weight of 346.31 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-oxo-6-(trifluoromethyl)-1H-indol-3-ylidene]methyl]phenyl]acetamide is sourced from PubChem (CID 2768382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).