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

C20H18F3N3O3 — CID 57181145

IUPAC3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-propoxyindole-1-carboxamide
SMILESCCCOc1ccc2c(c1)c(-c1ccc(C(N)=O)cc1C(F)(F)F)cn2C(N)=O
InChIInChI=1S/C20H18F3N3O3/c1-2-7-29-12-4-6-17-14(9-12)15(10-26(17)19(25)28)13-5-3-11(18(24)27)8-16(13)20(21,22)23/h3-6,8-10H,2,7H2,1H3,(H2,24,27)(H2,25,28)
InChIKeyZKRRZHXXUKXQMQ-UHFFFAOYSA-N
MW405.38 g/mol
LogP4.14
Rot. Bonds5

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

3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-propoxyindole-1-carboxamide (PubChem CID 57181145) has the molecular formula C20H18F3N3O3 and a molecular weight of 405.38 g/mol. Its IUPAC name is 3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-propoxyindole-1-carboxamide.

Molecular Properties

Compound Name3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-propoxyindole-1-carboxamide
PubChem CID57181145
Molecular FormulaC20H18F3N3O3
Molecular Weight405.38 g/mol
Exact Mass405.13
IUPAC Name3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-propoxyindole-1-carboxamide
SMILESCCCOc1ccc2c(c1)c(-c1ccc(C(N)=O)cc1C(F)(F)F)cn2C(N)=O
InChIInChI=1S/C20H18F3N3O3/c1-2-7-29-12-4-6-17-14(9-12)15(10-26(17)19(25)28)13-5-3-11(18(24)27)8-16(13)20(21,22)23/h3-6,8-10H,2,7H2,1H3,(H2,24,27)(H2,25,28)
InChIKeyZKRRZHXXUKXQMQ-UHFFFAOYSA-N
XLogP4.14
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 54.14
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
3-(5-methoxy-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327674
2-(4-fluorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 2992425
3-[5-(benzyloxy)-1-methyl-1H-indol-3-yl]-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327675
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
3-(1-methylindol-3-yl)-4-[3-(2-aminoethoxy)phenyl]-1Hpyrrole-2,5-dione
CID 9928879
2-(5-Benzyloxy-3-formyl-indol-1-yl)-N-methyl-N-phenethyl-acetamide
CID 10741106
8-Fluoro-3-[[4-(4-fluoro-1H-indol-1-yl)butyl](propyl)amino]chromane-5-carboxamide
CID 25139062
8-Fluoro-3-[[4-(6-fluoro-1H-indol-1-yl)butyl](propyl)amino]chromane-5-carboxamide
CID 25139063
8-Fluoro-3-[[4-(5-fluoro-1H-indol-1-yl)butyl](propyl)amino]chromane-5-carboxamide
CID 25139517
8-Fluoro-3-[[4-(7-fluoro-1H-indol-1-yl)butyl](propyl)amino]chromane-5-carboxamide
CID 25139785

Frequently Asked Questions

What is the IUPAC name of 3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-propoxyindole-1-carboxamide?
The IUPAC name of 3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-propoxyindole-1-carboxamide (CID 57181145) is 3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-propoxyindole-1-carboxamide.
What is the SMILES notation for 3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-propoxyindole-1-carboxamide?
The canonical SMILES for 3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-propoxyindole-1-carboxamide is CCCOc1ccc2c(c1)c(-c1ccc(C(N)=O)cc1C(F)(F)F)cn2C(N)=O.
What is the InChIKey of 3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-propoxyindole-1-carboxamide?
The InChIKey is ZKRRZHXXUKXQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3/c1-2-7-29-12-4-6-17-14(9-12)15(10-26(17)19(25)28)13-5-3-11(18(24)27)8-16(13)20(21,22)23/h3-6,8-10H,2,7H2,1H3,(H2,24,27)(H2,25,28).
What are the key properties of 3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-propoxyindole-1-carboxamide?
3-[4-carbamoyl-2-(trifluoromethyl)phenyl]-5-propoxyindole-1-carboxamide has a molecular weight of 405.38 g/mol, XLogP of 4.14, 5 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-propoxyindole-1-carboxamide is sourced from PubChem (CID 57181145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).