N-[(10R,13S,16R,17S)-17-acetyl-17-fluoro-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-16-yl]acetamide

C23H32FNO3 — CID 23267012

IUPACN-[(10R,13S,16R,17S)-17-acetyl-17-fluoro-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-16-yl]acetamide
SMILESCC(=O)N[C@@H]1CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(F)C(C)=O
InChIInChI=1S/C23H32FNO3/c1-13(26)23(24)20(25-14(2)27)12-19-17-6-5-15-11-16(28)7-9-21(15,3)18(17)8-10-22(19,23)4/h11,17-20H,5-10,12H2,1-4H3,(H,25,27)/t17?,18?,19?,20-,21+,22+,23-/m1/s1
InChIKeyMCUXEYBIYKTFCG-AZKYGJHDSA-N
MW389.51 g/mol
LogP3.93
Rot. Bonds2

About N-[(10R,13S,16R,17S)-17-acetyl-17-fluoro-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-16-yl]acetamide

N-[(10R,13S,16R,17S)-17-acetyl-17-fluoro-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-16-yl]acetamide (PubChem CID 23267012) has the molecular formula C23H32FNO3 and a molecular weight of 389.51 g/mol. Its IUPAC name is N-[(10R,13S,16R,17S)-17-acetyl-17-fluoro-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-16-yl]acetamide.

Molecular Properties

Compound NameN-[(10R,13S,16R,17S)-17-acetyl-17-fluoro-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-16-yl]acetamide
PubChem CID23267012
Molecular FormulaC23H32FNO3
Molecular Weight389.51 g/mol
Exact Mass389.24
IUPAC NameN-[(10R,13S,16R,17S)-17-acetyl-17-fluoro-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-16-yl]acetamide
SMILESCC(=O)N[C@@H]1CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(F)C(C)=O
InChIInChI=1S/C23H32FNO3/c1-13(26)23(24)20(25-14(2)27)12-19-17-6-5-15-11-16(28)7-9-21(15,3)18(17)8-10-22(19,23)4/h11,17-20H,5-10,12H2,1-4H3,(H,25,27)/t17?,18?,19?,20-,21+,22+,23-/m1/s1
InChIKeyMCUXEYBIYKTFCG-AZKYGJHDSA-N
XLogP3.93
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(10R,13S,16R,17S)-17-acetyl-17-fluoro-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-16-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5alpha)-23-Methyl-4-aza-21-norchol-1-ene-3,20-dione
CID 6918127
epipachysamine-E-5-en-4-one
CID 44587247
N,N-Diethyl-3-oxoandrost-4-ene-17beta-carboxamide
CID 13391376
16-(Aziridin-1-yl)pregn-4-ene-3,20-dione
CID 266410
(1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-1-(2-methylbutanoyl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
CID 118718203
(E)-N-[(3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]-2-methylbut-2-enamide
CID 44358068
17 Beta-acetamidoandrost-4-en-3-one
CID 222043
(3S,4aR,6aR,7S,8S,10aR,10bS,12aS)-7-[3-(ethylamino)-3-oxopropyl]-3,7,10a,10b,12a-pentamethyl-6-oxo-N-propan-2-yl-8-prop-1-en-2-yl-1,2,4,4a,6a,8,9,10,11,12-decahydrochrysene-3-carboxamide
CID 56659799
(3S,4aR,6aR,7S,8S,10aR,10bS,12aS)-3,7,10a,10b,12a-pentamethyl-6-oxo-7-[3-oxo-3-(propan-2-ylamino)propyl]-N-propan-2-yl-8-prop-1-en-2-yl-1,2,4,4a,6a,8,9,10,11,12-decahydrochrysene-3-carboxamide
CID 56683599
19-(Trifluoroacetamido)androst-4-ene-3,17-dione
CID 11069338
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-1-(2-methylbutanoyl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
CID 14034754
(Z)-N-[(3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]-2-methylbut-2-enamide
CID 10741795

Frequently Asked Questions

What is the IUPAC name of N-[(10R,13S,16R,17S)-17-acetyl-17-fluoro-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-16-yl]acetamide?
The IUPAC name of N-[(10R,13S,16R,17S)-17-acetyl-17-fluoro-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-16-yl]acetamide (CID 23267012) is N-[(10R,13S,16R,17S)-17-acetyl-17-fluoro-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-16-yl]acetamide.
What is the SMILES notation for N-[(10R,13S,16R,17S)-17-acetyl-17-fluoro-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-16-yl]acetamide?
The canonical SMILES for N-[(10R,13S,16R,17S)-17-acetyl-17-fluoro-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-16-yl]acetamide is CC(=O)N[C@@H]1CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(F)C(C)=O.
What is the InChIKey of N-[(10R,13S,16R,17S)-17-acetyl-17-fluoro-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-16-yl]acetamide?
The InChIKey is MCUXEYBIYKTFCG-AZKYGJHDSA-N. The full InChI is InChI=1S/C23H32FNO3/c1-13(26)23(24)20(25-14(2)27)12-19-17-6-5-15-11-16(28)7-9-21(15,3)18(17)8-10-22(19,23)4/h11,17-20H,5-10,12H2,1-4H3,(H,25,27)/t17?,18?,19?,20-,21+,22+,23-/m1/s1.
What are the key properties of N-[(10R,13S,16R,17S)-17-acetyl-17-fluoro-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-16-yl]acetamide?
N-[(10R,13S,16R,17S)-17-acetyl-17-fluoro-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-16-yl]acetamide has a molecular weight of 389.51 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(10R,13S,16R,17S)-17-acetyl-17-fluoro-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-16-yl]acetamide is sourced from PubChem (CID 23267012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).