N-[(2S)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide

C24H26FN3O2 — CID 26001788

IUPACN-[(2S)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide
SMILESO=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C24H26FN3O2/c25-18-12-10-16(11-13-18)23(29)28-22(24(30)27-19-6-2-1-3-7-19)14-17-15-26-21-9-5-4-8-20(17)21/h4-5,8-13,15,19,22,26H,1-3,6-7,14H2,(H,27,30)(H,28,29)/t22-/m0/s1
InChIKeyKEYNOUIKAOWXLR-QFIPXVFZSA-N
MW407.49 g/mol
LogP4.10
Rot. Bonds6

About N-[(2S)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide

N-[(2S)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide (PubChem CID 26001788) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is N-[(2S)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide
PubChem CID26001788
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC NameN-[(2S)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide
SMILESO=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C24H26FN3O2/c25-18-12-10-16(11-13-18)23(29)28-22(24(30)27-19-6-2-1-3-7-19)14-17-15-26-21-9-5-4-8-20(17)21/h4-5,8-13,15,19,22,26H,1-3,6-7,14H2,(H,27,30)(H,28,29)/t22-/m0/s1
InChIKeyKEYNOUIKAOWXLR-QFIPXVFZSA-N
XLogP4.10
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-(cyclopropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 110286344
N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanamide
CID 3110641
phenyl N-[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 3136694
N-[(2S)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 41322114
tert-butyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 10666931
benzyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 9209002
4-fluoro-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide
CID 25352827
(3S)-N-[(2S)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 52994169
N-[1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4967053
N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide
CID 59929836
benzyl N-[(2S)-1-(cyclopropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 7997575
2-(benzylcarbamoylamino)-N-cyclopropyl-3-(1H-indol-3-yl)propanamide
CID 110625943

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[(2S)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide (CID 26001788) is N-[(2S)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[(2S)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[(2S)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide is O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of N-[(2S)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide?
The InChIKey is KEYNOUIKAOWXLR-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H26FN3O2/c25-18-12-10-16(11-13-18)23(29)28-22(24(30)27-19-6-2-1-3-7-19)14-17-15-26-21-9-5-4-8-20(17)21/h4-5,8-13,15,19,22,26H,1-3,6-7,14H2,(H,27,30)(H,28,29)/t22-/m0/s1.
What are the key properties of N-[(2S)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide?
N-[(2S)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide has a molecular weight of 407.49 g/mol, XLogP of 4.10, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 26001788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).