(2S)-2-(cyclopropylmethylamino)-2-(4-fluorophenyl)-N-[(1S,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide

C22H25FN2O2 — CID 137441244

IUPAC(2S)-2-(cyclopropylmethylamino)-2-(4-fluorophenyl)-N-[(1S,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide
SMILESCO[C@H]1c2ccccc2C[C@@H]1NC(=O)[C@@H](NCC1CC1)c1ccc(F)cc1
InChIInChI=1S/C22H25FN2O2/c1-27-21-18-5-3-2-4-16(18)12-19(21)25-22(26)20(24-13-14-6-7-14)15-8-10-17(23)11-9-15/h2-5,8-11,14,19-21,24H,6-7,12-13H2,1H3,(H,25,26)/t19-,20-,21-/m0/s1
InChIKeyPMNYEPKMTAYGPV-ACRUOGEOSA-N
MW368.45 g/mol
LogP3.30
Rot. Bonds7

About (2S)-2-(cyclopropylmethylamino)-2-(4-fluorophenyl)-N-[(1S,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide

(2S)-2-(cyclopropylmethylamino)-2-(4-fluorophenyl)-N-[(1S,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide (PubChem CID 137441244) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is (2S)-2-(cyclopropylmethylamino)-2-(4-fluorophenyl)-N-[(1S,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide.

Molecular Properties

Compound Name(2S)-2-(cyclopropylmethylamino)-2-(4-fluorophenyl)-N-[(1S,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide
PubChem CID137441244
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name(2S)-2-(cyclopropylmethylamino)-2-(4-fluorophenyl)-N-[(1S,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide
SMILESCO[C@H]1c2ccccc2C[C@@H]1NC(=O)[C@@H](NCC1CC1)c1ccc(F)cc1
InChIInChI=1S/C22H25FN2O2/c1-27-21-18-5-3-2-4-16(18)12-19(21)25-22(26)20(24-13-14-6-7-14)15-8-10-17(23)11-9-15/h2-5,8-11,14,19-21,24H,6-7,12-13H2,1H3,(H,25,26)/t19-,20-,21-/m0/s1
InChIKeyPMNYEPKMTAYGPV-ACRUOGEOSA-N
XLogP3.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(cyclopropylmethylamino)-2-(4-fluorophenyl)-N-[(1S,2S)-1-methoxy-2,3-dihydro-1H-inden-2-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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclopropylmethylamino)-2-(4-fluorophenyl)-N-[(1S,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide?
The IUPAC name of (2S)-2-(cyclopropylmethylamino)-2-(4-fluorophenyl)-N-[(1S,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide (CID 137441244) is (2S)-2-(cyclopropylmethylamino)-2-(4-fluorophenyl)-N-[(1S,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide.
What is the SMILES notation for (2S)-2-(cyclopropylmethylamino)-2-(4-fluorophenyl)-N-[(1S,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide?
The canonical SMILES for (2S)-2-(cyclopropylmethylamino)-2-(4-fluorophenyl)-N-[(1S,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide is CO[C@H]1c2ccccc2C[C@@H]1NC(=O)[C@@H](NCC1CC1)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-(cyclopropylmethylamino)-2-(4-fluorophenyl)-N-[(1S,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide?
The InChIKey is PMNYEPKMTAYGPV-ACRUOGEOSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-27-21-18-5-3-2-4-16(18)12-19(21)25-22(26)20(24-13-14-6-7-14)15-8-10-17(23)11-9-15/h2-5,8-11,14,19-21,24H,6-7,12-13H2,1H3,(H,25,26)/t19-,20-,21-/m0/s1.
What are the key properties of (2S)-2-(cyclopropylmethylamino)-2-(4-fluorophenyl)-N-[(1S,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide?
(2S)-2-(cyclopropylmethylamino)-2-(4-fluorophenyl)-N-[(1S,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide has a molecular weight of 368.45 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopropylmethylamino)-2-(4-fluorophenyl)-N-[(1S,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide is sourced from PubChem (CID 137441244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).