N-[7-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]formamide

C17H14ClF3N2O — CID 139382710

IUPACN-[7-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]formamide
SMILESO=CNc1cc(Cl)c2c(c1)CCN2Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14ClF3N2O/c18-15-8-14(22-10-24)7-12-4-5-23(16(12)15)9-11-2-1-3-13(6-11)17(19,20)21/h1-3,6-8,10H,4-5,9H2,(H,22,24)
InChIKeyUMOPDXSJOAAKEV-UHFFFAOYSA-N
MW354.76 g/mol
LogP4.49
Rot. Bonds4

About N-[7-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]formamide

N-[7-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]formamide (PubChem CID 139382710) has the molecular formula C17H14ClF3N2O and a molecular weight of 354.76 g/mol. Its IUPAC name is N-[7-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]formamide.

Molecular Properties

Compound NameN-[7-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]formamide
PubChem CID139382710
Molecular FormulaC17H14ClF3N2O
Molecular Weight354.76 g/mol
Exact Mass354.07
IUPAC NameN-[7-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]formamide
SMILESO=CNc1cc(Cl)c2c(c1)CCN2Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14ClF3N2O/c18-15-8-14(22-10-24)7-12-4-5-23(16(12)15)9-11-2-1-3-13(6-11)17(19,20)21/h1-3,6-8,10H,4-5,9H2,(H,22,24)
InChIKeyUMOPDXSJOAAKEV-UHFFFAOYSA-N
XLogP4.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.76
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7-chloro-5-nitro-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole
CID 139382876
1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-2,5-dione
CID 64884561
1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
CID 112708064
4-[1-[[1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-7-carbonyl]amino]ethyl]benzoic acid
CID 70903595
1-[(4-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 22195771
1,5-bis[[3-(trifluoromethyl)phenyl]methyl]-1,5-diazacycloundecan-6-one
CID 102246471
(2R)-2-[[8-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]carbamoyl]piperidine-1-carboxylic acid
CID 155351638
1-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-2-one
CID 12678600
1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-2-one
CID 65362122
(3R)-N-(1-methylpiperidin-4-yl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 97150024
(3S)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 94373729
4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide
CID 3325305

Frequently Asked Questions

What is the IUPAC name of N-[7-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]formamide?
The IUPAC name of N-[7-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]formamide (CID 139382710) is N-[7-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]formamide.
What is the SMILES notation for N-[7-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]formamide?
The canonical SMILES for N-[7-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]formamide is O=CNc1cc(Cl)c2c(c1)CCN2Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[7-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]formamide?
The InChIKey is UMOPDXSJOAAKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O/c18-15-8-14(22-10-24)7-12-4-5-23(16(12)15)9-11-2-1-3-13(6-11)17(19,20)21/h1-3,6-8,10H,4-5,9H2,(H,22,24).
What are the key properties of N-[7-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]formamide?
N-[7-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]formamide has a molecular weight of 354.76 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]formamide is sourced from PubChem (CID 139382710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).