2-[2-(aminomethyl)-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-4-yl]-3-fluorobenzamide

C22H18ClF2N3O — CID 156855739

IUPAC2-[2-(aminomethyl)-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-4-yl]-3-fluorobenzamide
SMILESNCC1(c2ccccc2)Cc2c(cc(F)c(Cl)c2-c2c(F)cccc2C(N)=O)N1
InChIInChI=1S/C22H18ClF2N3O/c23-20-16(25)9-17-14(10-22(11-26,28-17)12-5-2-1-3-6-12)19(20)18-13(21(27)29)7-4-8-15(18)24/h1-9,28H,10-11,26H2,(H2,27,29)
InChIKeyIWEVAJOUKPMFDX-UHFFFAOYSA-N
MW413.86 g/mol
LogP4.21
Rot. Bonds4

About 2-[2-(aminomethyl)-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-4-yl]-3-fluorobenzamide

2-[2-(aminomethyl)-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-4-yl]-3-fluorobenzamide (PubChem CID 156855739) has the molecular formula C22H18ClF2N3O and a molecular weight of 413.86 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-4-yl]-3-fluorobenzamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-4-yl]-3-fluorobenzamide
PubChem CID156855739
Molecular FormulaC22H18ClF2N3O
Molecular Weight413.86 g/mol
Exact Mass413.11
IUPAC Name2-[2-(aminomethyl)-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-4-yl]-3-fluorobenzamide
SMILESNCC1(c2ccccc2)Cc2c(cc(F)c(Cl)c2-c2c(F)cccc2C(N)=O)N1
InChIInChI=1S/C22H18ClF2N3O/c23-20-16(25)9-17-14(10-22(11-26,28-17)12-5-2-1-3-6-12)19(20)18-13(21(27)29)7-4-8-15(18)24/h1-9,28H,10-11,26H2,(H2,27,29)
InChIKeyIWEVAJOUKPMFDX-UHFFFAOYSA-N
XLogP4.21
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.86
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-2-(aminomethyl)-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-4-yl]-3-fluorobenzaldehyde;methanamine
CID 156855779
(4-bromo-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-2-yl)methanamine
CID 156855920
2-[2-(azidomethyl)-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-4-yl]-3-fluorobenzonitrile
CID 156855765
2-[3-[2-(4-aminobutyl)-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-4-yl]-2-fluoro-4-methylphenoxy]ethanol;ethenamine
CID 156855994
2-[(2S)-2-(aminomethyl)-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-4-yl]-3-fluoro-4-(2-hydroxyethoxy)benzamide
CID 157340416
(2S)-4-bromo-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindole-2-carboxylic acid
CID 166749242
4-[(2S)-2-(aminomethyl)-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-4-yl]-5-fluoro-6-(2-hydroxyethoxy)pyridine-3-carboxamide
CID 156856398
4-[2-(aminomethyl)-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-4-yl]-5-fluoro-6-methoxypyridine-3-carboxamide
CID 156855833
tert-butyl N-[[5-chloro-4-(2-cyano-6-fluorophenyl)-6-fluoro-2-phenyl-3H-1-benzofuran-2-yl]methyl]carbamate
CID 168860407
[(2S)-4-(6-carbamoyl-2-fluoro-3-methoxyphenyl)-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-2-yl]methyl-methylcarbamic acid
CID 166749067
5-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(propan-2-ylamino)methyl]-3H-1-benzofuran-4-yl]-4-fluoro-2,3-dihydro-1H-indole-6-carboxamide
CID 176770294
7-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-8-fluorospiro[2,4-dihydro-1,4-benzoxazine-3,1'-cyclopropane]-6-carboxamide
CID 176770412

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-4-yl]-3-fluorobenzamide?
The IUPAC name of 2-[2-(aminomethyl)-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-4-yl]-3-fluorobenzamide (CID 156855739) is 2-[2-(aminomethyl)-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-4-yl]-3-fluorobenzamide.
What is the SMILES notation for 2-[2-(aminomethyl)-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-4-yl]-3-fluorobenzamide?
The canonical SMILES for 2-[2-(aminomethyl)-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-4-yl]-3-fluorobenzamide is NCC1(c2ccccc2)Cc2c(cc(F)c(Cl)c2-c2c(F)cccc2C(N)=O)N1.
What is the InChIKey of 2-[2-(aminomethyl)-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-4-yl]-3-fluorobenzamide?
The InChIKey is IWEVAJOUKPMFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF2N3O/c23-20-16(25)9-17-14(10-22(11-26,28-17)12-5-2-1-3-6-12)19(20)18-13(21(27)29)7-4-8-15(18)24/h1-9,28H,10-11,26H2,(H2,27,29).
What are the key properties of 2-[2-(aminomethyl)-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-4-yl]-3-fluorobenzamide?
2-[2-(aminomethyl)-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-4-yl]-3-fluorobenzamide has a molecular weight of 413.86 g/mol, XLogP of 4.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-4-yl]-3-fluorobenzamide is sourced from PubChem (CID 156855739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).