N-[[(2S,3S)-2-tert-butyloxan-3-yl]methyl]-6-fluoro-4-methyl-1H-indole-2-carboxamide

C20H27FN2O2 — CID 99809059

IUPACN-[[(2S,3S)-2-tert-butyloxan-3-yl]methyl]-6-fluoro-4-methyl-1H-indole-2-carboxamide
SMILESCc1cc(F)cc2[nH]c(C(=O)NC[C@@H]3CCCO[C@@H]3C(C)(C)C)cc12
InChIInChI=1S/C20H27FN2O2/c1-12-8-14(21)9-16-15(12)10-17(23-16)19(24)22-11-13-6-5-7-25-18(13)20(2,3)4/h8-10,13,18,23H,5-7,11H2,1-4H3,(H,22,24)/t13-,18-/m0/s1
InChIKeyLXNHWEMYAUOYTE-UGSOOPFHSA-N
MW346.45 g/mol
LogP4.19
Rot. Bonds3

About N-[[(2S,3S)-2-tert-butyloxan-3-yl]methyl]-6-fluoro-4-methyl-1H-indole-2-carboxamide

N-[[(2S,3S)-2-tert-butyloxan-3-yl]methyl]-6-fluoro-4-methyl-1H-indole-2-carboxamide (PubChem CID 99809059) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[[(2S,3S)-2-tert-butyloxan-3-yl]methyl]-6-fluoro-4-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S,3S)-2-tert-butyloxan-3-yl]methyl]-6-fluoro-4-methyl-1H-indole-2-carboxamide
PubChem CID99809059
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC NameN-[[(2S,3S)-2-tert-butyloxan-3-yl]methyl]-6-fluoro-4-methyl-1H-indole-2-carboxamide
SMILESCc1cc(F)cc2[nH]c(C(=O)NC[C@@H]3CCCO[C@@H]3C(C)(C)C)cc12
InChIInChI=1S/C20H27FN2O2/c1-12-8-14(21)9-16-15(12)10-17(23-16)19(24)22-11-13-6-5-7-25-18(13)20(2,3)4/h8-10,13,18,23H,5-7,11H2,1-4H3,(H,22,24)/t13-,18-/m0/s1
InChIKeyLXNHWEMYAUOYTE-UGSOOPFHSA-N
XLogP4.19
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[(2S,3S)-2-tert-butyloxan-3-yl]methyl]-6-fluoro-4-methyl-1H-indole-2-carboxamide with MolForge

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Related Compounds

4,6-dimethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 46521932
N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 111464297
3-[[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]methyl]-3-hydroxycyclobutane-1-carboxylic acid
CID 166366620
2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]acetic acid
CID 75513250
N-[2-[[N-[(2-tert-butyloxan-3-yl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 111622760
4-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849428
6-fluoro-N-(3-hydroxybutyl)-4-methyl-1H-indole-2-carboxamide
CID 111433448
4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide
CID 119330460
N-[(2-tert-butyloxan-3-yl)methyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 86972103
N-[(2-tert-butyloxan-3-yl)methyl]-2-chloro-5-methylsulfanylbenzamide
CID 86971614
N-[[(2S,3S)-2-tert-butyloxolan-3-yl]methyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
CID 95930498
N-[(2-tert-butyloxan-3-yl)methyl]-4-[(carbamoylamino)methyl]benzamide
CID 119135959

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3S)-2-tert-butyloxan-3-yl]methyl]-6-fluoro-4-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[[(2S,3S)-2-tert-butyloxan-3-yl]methyl]-6-fluoro-4-methyl-1H-indole-2-carboxamide (CID 99809059) is N-[[(2S,3S)-2-tert-butyloxan-3-yl]methyl]-6-fluoro-4-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[(2S,3S)-2-tert-butyloxan-3-yl]methyl]-6-fluoro-4-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[[(2S,3S)-2-tert-butyloxan-3-yl]methyl]-6-fluoro-4-methyl-1H-indole-2-carboxamide is Cc1cc(F)cc2[nH]c(C(=O)NC[C@@H]3CCCO[C@@H]3C(C)(C)C)cc12.
What is the InChIKey of N-[[(2S,3S)-2-tert-butyloxan-3-yl]methyl]-6-fluoro-4-methyl-1H-indole-2-carboxamide?
The InChIKey is LXNHWEMYAUOYTE-UGSOOPFHSA-N. The full InChI is InChI=1S/C20H27FN2O2/c1-12-8-14(21)9-16-15(12)10-17(23-16)19(24)22-11-13-6-5-7-25-18(13)20(2,3)4/h8-10,13,18,23H,5-7,11H2,1-4H3,(H,22,24)/t13-,18-/m0/s1.
What are the key properties of N-[[(2S,3S)-2-tert-butyloxan-3-yl]methyl]-6-fluoro-4-methyl-1H-indole-2-carboxamide?
N-[[(2S,3S)-2-tert-butyloxan-3-yl]methyl]-6-fluoro-4-methyl-1H-indole-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3S)-2-tert-butyloxan-3-yl]methyl]-6-fluoro-4-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 99809059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).