2-(5-chloroindol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide

C18H13Cl2F3N2O — CID 84571219

IUPAC2-(5-chloroindol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)n1ccc2cc(Cl)ccc21
InChIInChI=1S/C18H13Cl2F3N2O/c1-10(25-7-6-11-8-13(19)3-5-16(11)25)17(26)24-15-9-12(18(21,22)23)2-4-14(15)20/h2-10H,1H3,(H,24,26)
InChIKeyRCKCTDGEUFOALS-UHFFFAOYSA-N
MW401.22 g/mol
LogP6.17
Rot. Bonds3

About 2-(5-chloroindol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide

2-(5-chloroindol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 84571219) has the molecular formula C18H13Cl2F3N2O and a molecular weight of 401.22 g/mol. Its IUPAC name is 2-(5-chloroindol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(5-chloroindol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
PubChem CID84571219
Molecular FormulaC18H13Cl2F3N2O
Molecular Weight401.22 g/mol
Exact Mass400.04
IUPAC Name2-(5-chloroindol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)n1ccc2cc(Cl)ccc21
InChIInChI=1S/C18H13Cl2F3N2O/c1-10(25-7-6-11-8-13(19)3-5-16(11)25)17(26)24-15-9-12(18(21,22)23)2-4-14(15)20/h2-10H,1H3,(H,24,26)
InChIKeyRCKCTDGEUFOALS-UHFFFAOYSA-N
XLogP6.17
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.22
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 2396545
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)propanamide
CID 78487298
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(1R,2S,6S,7R,8R,9S)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]propanamide
CID 124715880
2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 24690259
4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 80542425
2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 4117637
2-(6-aminoindazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 22693430
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 7737005
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide
CID 1214413
ethyl 1-[(2R)-1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 8772806
[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)propanoate
CID 3275818
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 2235348

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroindol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(5-chloroindol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide (CID 84571219) is 2-(5-chloroindol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(5-chloroindol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(5-chloroindol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide is CC(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)n1ccc2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloroindol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is RCKCTDGEUFOALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2F3N2O/c1-10(25-7-6-11-8-13(19)3-5-16(11)25)17(26)24-15-9-12(18(21,22)23)2-4-14(15)20/h2-10H,1H3,(H,24,26).
What are the key properties of 2-(5-chloroindol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?
2-(5-chloroindol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 401.22 g/mol, XLogP of 6.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroindol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 84571219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).