N-[5-chloro-2-(2-methylindole-1-carbonyl)phenyl]-2,2,2-trifluoroacetamide

C18H12ClF3N2O2 — CID 134116686

IUPACN-[5-chloro-2-(2-methylindole-1-carbonyl)phenyl]-2,2,2-trifluoroacetamide
SMILESCc1cc2ccccc2n1C(=O)c1ccc(Cl)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C18H12ClF3N2O2/c1-10-8-11-4-2-3-5-15(11)24(10)16(25)13-7-6-12(19)9-14(13)23-17(26)18(20,21)22/h2-9H,1H3,(H,23,26)
InChIKeyPRHNRRDMPGNLRE-UHFFFAOYSA-N
MW380.75 g/mol
LogP4.79
Rot. Bonds2

About N-[5-chloro-2-(2-methylindole-1-carbonyl)phenyl]-2,2,2-trifluoroacetamide

N-[5-chloro-2-(2-methylindole-1-carbonyl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 134116686) has the molecular formula C18H12ClF3N2O2 and a molecular weight of 380.75 g/mol. Its IUPAC name is N-[5-chloro-2-(2-methylindole-1-carbonyl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2-methylindole-1-carbonyl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID134116686
Molecular FormulaC18H12ClF3N2O2
Molecular Weight380.75 g/mol
Exact Mass380.05
IUPAC NameN-[5-chloro-2-(2-methylindole-1-carbonyl)phenyl]-2,2,2-trifluoroacetamide
SMILESCc1cc2ccccc2n1C(=O)c1ccc(Cl)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C18H12ClF3N2O2/c1-10-8-11-4-2-3-5-15(11)24(10)16(25)13-7-6-12(19)9-14(13)23-17(26)18(20,21)22/h2-9H,1H3,(H,23,26)
InChIKeyPRHNRRDMPGNLRE-UHFFFAOYSA-N
XLogP4.79
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.75
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide
CID 14399786
N-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide
CID 87693092
N-methoxy-2-methylindole-1-carboxamide
CID 166447410
N-(4-chloro-2-methylphenyl)-2-(2-methylindol-1-yl)acetamide
CID 4150176
2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-chlorobenzoic acid
CID 115432260
N-(3,5-dichloro-2-iodophenyl)-2,2,2-trifluoroacetamide
CID 162537552
N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide
CID 9185179
2,2,2-trifluoro-N-phenylacetamide;yttrium(3+)
CID 54717323
N-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide
CID 145284883
(E)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-4,4,4-trifluoro-3-phenylbut-2-enamide
CID 56508527
ethyl 6-chloro-4-[(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylate
CID 86657942
N-(5-chloro-2-hydroxyphenyl)-1-methylindole-2-carboxamide
CID 56581495

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2-methylindole-1-carbonyl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[5-chloro-2-(2-methylindole-1-carbonyl)phenyl]-2,2,2-trifluoroacetamide (CID 134116686) is N-[5-chloro-2-(2-methylindole-1-carbonyl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[5-chloro-2-(2-methylindole-1-carbonyl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[5-chloro-2-(2-methylindole-1-carbonyl)phenyl]-2,2,2-trifluoroacetamide is Cc1cc2ccccc2n1C(=O)c1ccc(Cl)cc1NC(=O)C(F)(F)F.
What is the InChIKey of N-[5-chloro-2-(2-methylindole-1-carbonyl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is PRHNRRDMPGNLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N2O2/c1-10-8-11-4-2-3-5-15(11)24(10)16(25)13-7-6-12(19)9-14(13)23-17(26)18(20,21)22/h2-9H,1H3,(H,23,26).
What are the key properties of N-[5-chloro-2-(2-methylindole-1-carbonyl)phenyl]-2,2,2-trifluoroacetamide?
N-[5-chloro-2-(2-methylindole-1-carbonyl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 380.75 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2-methylindole-1-carbonyl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 134116686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).