N-[(2R)-2-acetyl-7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]piperidine-2-carboxamide

C24H25ClF3N3O2 — CID 155657827

IUPACN-[(2R)-2-acetyl-7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]piperidine-2-carboxamide
SMILESCC(=O)[C@H]1Cc2cc(NC(=O)C3CCCCN3)cc(Cl)c2N1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H25ClF3N3O2/c1-14(32)21-11-16-10-18(30-23(33)20-4-2-3-9-29-20)12-19(25)22(16)31(21)13-15-5-7-17(8-6-15)24(26,27)28/h5-8,10,12,20-21,29H,2-4,9,11,13H2,1H3,(H,30,33)/t20?,21-/m1/s1
InChIKeyWGZVLQDZXDDBQU-BPGUCPLFSA-N
MW479.93 g/mol
LogP4.96
Rot. Bonds5

About N-[(2R)-2-acetyl-7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]piperidine-2-carboxamide

N-[(2R)-2-acetyl-7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]piperidine-2-carboxamide (PubChem CID 155657827) has the molecular formula C24H25ClF3N3O2 and a molecular weight of 479.93 g/mol. Its IUPAC name is N-[(2R)-2-acetyl-7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-acetyl-7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]piperidine-2-carboxamide
PubChem CID155657827
Molecular FormulaC24H25ClF3N3O2
Molecular Weight479.93 g/mol
Exact Mass479.16
IUPAC NameN-[(2R)-2-acetyl-7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]piperidine-2-carboxamide
SMILESCC(=O)[C@H]1Cc2cc(NC(=O)C3CCCCN3)cc(Cl)c2N1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H25ClF3N3O2/c1-14(32)21-11-16-10-18(30-23(33)20-4-2-3-9-29-20)12-19(25)22(16)31(21)13-15-5-7-17(8-6-15)24(26,27)28/h5-8,10,12,20-21,29H,2-4,9,11,13H2,1H3,(H,30,33)/t20?,21-/m1/s1
InChIKeyWGZVLQDZXDDBQU-BPGUCPLFSA-N
XLogP4.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.93
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 11701623
(2R)-N-[3-chloro-4-[[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]piperidine-2-carboxamide
CID 142536916
tert-butyl (2R)-2-[[8-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]carbamoyl]piperidine-1-carboxylate
CID 139382847
N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262099
(2R)-2-[[8-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]carbamoyl]piperidine-1-carboxylic acid
CID 155351638
1-acetyl-N-[7-chloro-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,3-dihydroindol-5-yl]piperidine-2-carboxamide
CID 155351641
(2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119671263
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
(2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 103808490
(2R)-N-[2-chloro-6-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 28951007
N-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 107680422
(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119275122

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-acetyl-7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]piperidine-2-carboxamide?
The IUPAC name of N-[(2R)-2-acetyl-7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]piperidine-2-carboxamide (CID 155657827) is N-[(2R)-2-acetyl-7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]piperidine-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-acetyl-7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]piperidine-2-carboxamide?
The canonical SMILES for N-[(2R)-2-acetyl-7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]piperidine-2-carboxamide is CC(=O)[C@H]1Cc2cc(NC(=O)C3CCCCN3)cc(Cl)c2N1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2R)-2-acetyl-7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]piperidine-2-carboxamide?
The InChIKey is WGZVLQDZXDDBQU-BPGUCPLFSA-N. The full InChI is InChI=1S/C24H25ClF3N3O2/c1-14(32)21-11-16-10-18(30-23(33)20-4-2-3-9-29-20)12-19(25)22(16)31(21)13-15-5-7-17(8-6-15)24(26,27)28/h5-8,10,12,20-21,29H,2-4,9,11,13H2,1H3,(H,30,33)/t20?,21-/m1/s1.
What are the key properties of N-[(2R)-2-acetyl-7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]piperidine-2-carboxamide?
N-[(2R)-2-acetyl-7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]piperidine-2-carboxamide has a molecular weight of 479.93 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-acetyl-7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]piperidine-2-carboxamide is sourced from PubChem (CID 155657827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).