3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-(trifluoromethoxy)indole-1-carboxamide

C18H11F6N3O3 — CID 57194132

IUPAC3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-(trifluoromethoxy)indole-1-carboxamide
SMILESNC(=O)c1ccc(-c2cn(C(N)=O)c3ccc(OC(F)(F)F)cc23)c(C(F)(F)F)c1
InChIInChI=1S/C18H11F6N3O3/c19-17(20,21)13-5-8(15(25)28)1-3-10(13)12-7-27(16(26)29)14-4-2-9(6-11(12)14)30-18(22,23)24/h1-7H,(H2,25,28)(H2,26,29)
InChIKeyMYUYFNKKLJCMRH-UHFFFAOYSA-N
MW431.29 g/mol
LogP4.25
Rot. Bonds3

About 3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-(trifluoromethoxy)indole-1-carboxamide

3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-(trifluoromethoxy)indole-1-carboxamide (PubChem CID 57194132) has the molecular formula C18H11F6N3O3 and a molecular weight of 431.29 g/mol. Its IUPAC name is 3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-(trifluoromethoxy)indole-1-carboxamide.

Molecular Properties

Compound Name3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-(trifluoromethoxy)indole-1-carboxamide
PubChem CID57194132
Molecular FormulaC18H11F6N3O3
Molecular Weight431.29 g/mol
Exact Mass431.07
IUPAC Name3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-(trifluoromethoxy)indole-1-carboxamide
SMILESNC(=O)c1ccc(-c2cn(C(N)=O)c3ccc(OC(F)(F)F)cc23)c(C(F)(F)F)c1
InChIInChI=1S/C18H11F6N3O3/c19-17(20,21)13-5-8(15(25)28)1-3-10(13)12-7-27(16(26)29)14-4-2-9(6-11(12)14)30-18(22,23)24/h1-7H,(H2,25,28)(H2,26,29)
InChIKeyMYUYFNKKLJCMRH-UHFFFAOYSA-N
XLogP4.25
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.29
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-3-[N-(4-(4-fluoro-phenyl)-4-oxo-butyl)-1,2,5,6-tetrahydro-pyridin-3-ylmethyl]-1H-indole
CID 9866050
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CID 2992425
(E)-3-(5-methoxy-1H-indol-3-yl)-1-phenylprop-2-en-1-one
CID 5917598
(3Z)-3-[(5-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one
CID 6516560
N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)biphenyl-4-carboxamide
CID 7354608
[3-(2-Dimethylamino-ethyl)-5-methoxy-indol-1-yl]-phenyl-methanone
CID 9905247
1-{2-[4-(5-Methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-ethyl}-isochroman-6-carboxylic acid amide
CID 44461306
5-[[5-Methoxy-1-(naphthalene-1-carbonyl)indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 71562020
5-[[5-Methoxy-1-(naphthalene-2-carbonyl)indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 71562142
4-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 788592
N-(2-(5-methoxy-1H-indol-3-yl)ethyl)benzamide
CID 698102
5-methoxy-1-(phenylmethyl)-1H-indole-3-acetamide
CID 10732550

Frequently Asked Questions

What is the IUPAC name of 3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-(trifluoromethoxy)indole-1-carboxamide?
The IUPAC name of 3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-(trifluoromethoxy)indole-1-carboxamide (CID 57194132) is 3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-(trifluoromethoxy)indole-1-carboxamide.
What is the SMILES notation for 3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-(trifluoromethoxy)indole-1-carboxamide?
The canonical SMILES for 3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-(trifluoromethoxy)indole-1-carboxamide is NC(=O)c1ccc(-c2cn(C(N)=O)c3ccc(OC(F)(F)F)cc23)c(C(F)(F)F)c1.
What is the InChIKey of 3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-(trifluoromethoxy)indole-1-carboxamide?
The InChIKey is MYUYFNKKLJCMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F6N3O3/c19-17(20,21)13-5-8(15(25)28)1-3-10(13)12-7-27(16(26)29)14-4-2-9(6-11(12)14)30-18(22,23)24/h1-7H,(H2,25,28)(H2,26,29).
What are the key properties of 3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-(trifluoromethoxy)indole-1-carboxamide?
3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-(trifluoromethoxy)indole-1-carboxamide has a molecular weight of 431.29 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-(trifluoromethoxy)indole-1-carboxamide is sourced from PubChem (CID 57194132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).