(2S)-2-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl-prop-2-ynylamino]propanamide

C20H20ClFN2O2 — CID 162664908

IUPAC(2S)-2-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl-prop-2-ynylamino]propanamide
SMILESC#CCN(Cc1ccc(OCc2cccc(F)c2)cc1Cl)[C@@H](C)C(N)=O
InChIInChI=1S/C20H20ClFN2O2/c1-3-9-24(14(2)20(23)25)12-16-7-8-18(11-19(16)21)26-13-15-5-4-6-17(22)10-15/h1,4-8,10-11,14H,9,12-13H2,2H3,(H2,23,25)/t14-/m0/s1
InChIKeyBJMCKQFCFUILGQ-AWEZNQCLSA-N
MW374.84 g/mol
LogP3.37
Rot. Bonds8

About (2S)-2-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl-prop-2-ynylamino]propanamide

(2S)-2-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl-prop-2-ynylamino]propanamide (PubChem CID 162664908) has the molecular formula C20H20ClFN2O2 and a molecular weight of 374.84 g/mol. Its IUPAC name is (2S)-2-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl-prop-2-ynylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl-prop-2-ynylamino]propanamide
PubChem CID162664908
Molecular FormulaC20H20ClFN2O2
Molecular Weight374.84 g/mol
Exact Mass374.12
IUPAC Name(2S)-2-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl-prop-2-ynylamino]propanamide
SMILESC#CCN(Cc1ccc(OCc2cccc(F)c2)cc1Cl)[C@@H](C)C(N)=O
InChIInChI=1S/C20H20ClFN2O2/c1-3-9-24(14(2)20(23)25)12-16-7-8-18(11-19(16)21)26-13-15-5-4-6-17(22)10-15/h1,4-8,10-11,14H,9,12-13H2,2H3,(H2,23,25)/t14-/m0/s1
InChIKeyBJMCKQFCFUILGQ-AWEZNQCLSA-N
XLogP3.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2S)-2-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl-prop-2-ynylamino]propanamide 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-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl-prop-2-ynylamino]propanamide?
The IUPAC name of (2S)-2-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl-prop-2-ynylamino]propanamide (CID 162664908) is (2S)-2-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl-prop-2-ynylamino]propanamide.
What is the SMILES notation for (2S)-2-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl-prop-2-ynylamino]propanamide?
The canonical SMILES for (2S)-2-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl-prop-2-ynylamino]propanamide is C#CCN(Cc1ccc(OCc2cccc(F)c2)cc1Cl)[C@@H](C)C(N)=O.
What is the InChIKey of (2S)-2-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl-prop-2-ynylamino]propanamide?
The InChIKey is BJMCKQFCFUILGQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20ClFN2O2/c1-3-9-24(14(2)20(23)25)12-16-7-8-18(11-19(16)21)26-13-15-5-4-6-17(22)10-15/h1,4-8,10-11,14H,9,12-13H2,2H3,(H2,23,25)/t14-/m0/s1.
What are the key properties of (2S)-2-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl-prop-2-ynylamino]propanamide?
(2S)-2-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl-prop-2-ynylamino]propanamide has a molecular weight of 374.84 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl-prop-2-ynylamino]propanamide is sourced from PubChem (CID 162664908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).