4-chloro-N-[(4,4-difluoro-1-nitrosocyclohexyl)methyl]-1-[2-(dimethylamino)-2-oxoethyl]indole-3-carboxamide

C20H23ClF2N4O3 — CID 163618707

IUPAC4-chloro-N-[(4,4-difluoro-1-nitrosocyclohexyl)methyl]-1-[2-(dimethylamino)-2-oxoethyl]indole-3-carboxamide
SMILESCN(C)C(=O)Cn1cc(C(=O)NCC2(N=O)CCC(F)(F)CC2)c2c(Cl)cccc21
InChIInChI=1S/C20H23ClF2N4O3/c1-26(2)16(28)11-27-10-13(17-14(21)4-3-5-15(17)27)18(29)24-12-19(25-30)6-8-20(22,23)9-7-19/h3-5,10H,6-9,11-12H2,1-2H3,(H,24,29)
InChIKeyHMFXEYSHLPDIOX-UHFFFAOYSA-N
MW440.88 g/mol
LogP3.83
Rot. Bonds6

About 4-chloro-N-[(4,4-difluoro-1-nitrosocyclohexyl)methyl]-1-[2-(dimethylamino)-2-oxoethyl]indole-3-carboxamide

4-chloro-N-[(4,4-difluoro-1-nitrosocyclohexyl)methyl]-1-[2-(dimethylamino)-2-oxoethyl]indole-3-carboxamide (PubChem CID 163618707) has the molecular formula C20H23ClF2N4O3 and a molecular weight of 440.88 g/mol. Its IUPAC name is 4-chloro-N-[(4,4-difluoro-1-nitrosocyclohexyl)methyl]-1-[2-(dimethylamino)-2-oxoethyl]indole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(4,4-difluoro-1-nitrosocyclohexyl)methyl]-1-[2-(dimethylamino)-2-oxoethyl]indole-3-carboxamide
PubChem CID163618707
Molecular FormulaC20H23ClF2N4O3
Molecular Weight440.88 g/mol
Exact Mass440.14
IUPAC Name4-chloro-N-[(4,4-difluoro-1-nitrosocyclohexyl)methyl]-1-[2-(dimethylamino)-2-oxoethyl]indole-3-carboxamide
SMILESCN(C)C(=O)Cn1cc(C(=O)NCC2(N=O)CCC(F)(F)CC2)c2c(Cl)cccc21
InChIInChI=1S/C20H23ClF2N4O3/c1-26(2)16(28)11-27-10-13(17-14(21)4-3-5-15(17)27)18(29)24-12-19(25-30)6-8-20(22,23)9-7-19/h3-5,10H,6-9,11-12H2,1-2H3,(H,24,29)
InChIKeyHMFXEYSHLPDIOX-UHFFFAOYSA-N
XLogP3.83
TPSA83.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.88
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide
CID 121393263
4-chloro-N-[(3,3-difluoro-1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide
CID 121393286
4-chloro-N-[[(1R)-3,3-difluoro-1-hydroxycyclohexyl]methyl]-1-(2-pyrrolidin-1-ylethyl)indole-3-carboxamide
CID 121393322
4-chloro-N-[(3,3-difluoro-1-hydroxycyclohexyl)methyl]-1-(pyrrolidin-2-ylmethyl)indole-3-carboxamide
CID 121393388
4-chloro-N-[[(1R)-3,3-difluoro-1-hydroxycyclohexyl]methyl]-1-(oxolan-2-ylmethyl)indole-3-carboxamide
CID 121393434
4-chloro-N-[[(1S)-3,3-difluoro-1-hydroxycyclohexyl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]indole-3-carboxamide
CID 121393457
4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide
CID 121407315
4-chloro-N-[[(1S,3S)-3-ethenyl-1-hydroxycyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide
CID 138752531
4-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-(oxolan-2-ylmethyl)indole-3-carboxamide
CID 121393420
1-[4-chloro-1-(3,3,3-trifluoropropyl)indol-3-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one
CID 158276943
1-[1-(2-aminoethyl)-4-chloroindol-3-yl]-3-(4,4-difluorocyclohexyl)propan-1-one
CID 148986421
2,3-dichloro-N-[[4,4-difluoro-1-(4-methylimidazol-1-yl)cyclohexyl]methyl]benzamide
CID 86716406

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4,4-difluoro-1-nitrosocyclohexyl)methyl]-1-[2-(dimethylamino)-2-oxoethyl]indole-3-carboxamide?
The IUPAC name of 4-chloro-N-[(4,4-difluoro-1-nitrosocyclohexyl)methyl]-1-[2-(dimethylamino)-2-oxoethyl]indole-3-carboxamide (CID 163618707) is 4-chloro-N-[(4,4-difluoro-1-nitrosocyclohexyl)methyl]-1-[2-(dimethylamino)-2-oxoethyl]indole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(4,4-difluoro-1-nitrosocyclohexyl)methyl]-1-[2-(dimethylamino)-2-oxoethyl]indole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(4,4-difluoro-1-nitrosocyclohexyl)methyl]-1-[2-(dimethylamino)-2-oxoethyl]indole-3-carboxamide is CN(C)C(=O)Cn1cc(C(=O)NCC2(N=O)CCC(F)(F)CC2)c2c(Cl)cccc21.
What is the InChIKey of 4-chloro-N-[(4,4-difluoro-1-nitrosocyclohexyl)methyl]-1-[2-(dimethylamino)-2-oxoethyl]indole-3-carboxamide?
The InChIKey is HMFXEYSHLPDIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClF2N4O3/c1-26(2)16(28)11-27-10-13(17-14(21)4-3-5-15(17)27)18(29)24-12-19(25-30)6-8-20(22,23)9-7-19/h3-5,10H,6-9,11-12H2,1-2H3,(H,24,29).
What are the key properties of 4-chloro-N-[(4,4-difluoro-1-nitrosocyclohexyl)methyl]-1-[2-(dimethylamino)-2-oxoethyl]indole-3-carboxamide?
4-chloro-N-[(4,4-difluoro-1-nitrosocyclohexyl)methyl]-1-[2-(dimethylamino)-2-oxoethyl]indole-3-carboxamide has a molecular weight of 440.88 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4,4-difluoro-1-nitrosocyclohexyl)methyl]-1-[2-(dimethylamino)-2-oxoethyl]indole-3-carboxamide is sourced from PubChem (CID 163618707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).