(E)-N-[2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]ethyl]-3-(4-fluorophenyl)prop-2-enamide

C23H27FN2O — CID 122181333

IUPAC(E)-N-[2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]ethyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESCCCN(CCNC(=O)/C=C/c1ccc(F)cc1)C1Cc2ccccc2C1
InChIInChI=1S/C23H27FN2O/c1-2-14-26(22-16-19-5-3-4-6-20(19)17-22)15-13-25-23(27)12-9-18-7-10-21(24)11-8-18/h3-12,22H,2,13-17H2,1H3,(H,25,27)/b12-9+
InChIKeyRBFMCJMIEVSALT-FMIVXFBMSA-N
MW366.48 g/mol
LogP3.83
Rot. Bonds8

About (E)-N-[2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]ethyl]-3-(4-fluorophenyl)prop-2-enamide

(E)-N-[2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]ethyl]-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 122181333) has the molecular formula C23H27FN2O and a molecular weight of 366.48 g/mol. Its IUPAC name is (E)-N-[2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]ethyl]-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]ethyl]-3-(4-fluorophenyl)prop-2-enamide
PubChem CID122181333
Molecular FormulaC23H27FN2O
Molecular Weight366.48 g/mol
Exact Mass366.21
IUPAC Name(E)-N-[2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]ethyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESCCCN(CCNC(=O)/C=C/c1ccc(F)cc1)C1Cc2ccccc2C1
InChIInChI=1S/C23H27FN2O/c1-2-14-26(22-16-19-5-3-4-6-20(19)17-22)15-13-25-23(27)12-9-18-7-10-21(24)11-8-18/h3-12,22H,2,13-17H2,1H3,(H,25,27)/b12-9+
InChIKeyRBFMCJMIEVSALT-FMIVXFBMSA-N
XLogP3.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]ethyl]-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]ethyl]-3-(4-fluorophenyl)prop-2-enamide (CID 122181333) is (E)-N-[2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]ethyl]-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]ethyl]-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]ethyl]-3-(4-fluorophenyl)prop-2-enamide is CCCN(CCNC(=O)/C=C/c1ccc(F)cc1)C1Cc2ccccc2C1.
What is the InChIKey of (E)-N-[2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]ethyl]-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is RBFMCJMIEVSALT-FMIVXFBMSA-N. The full InChI is InChI=1S/C23H27FN2O/c1-2-14-26(22-16-19-5-3-4-6-20(19)17-22)15-13-25-23(27)12-9-18-7-10-21(24)11-8-18/h3-12,22H,2,13-17H2,1H3,(H,25,27)/b12-9+.
What are the key properties of (E)-N-[2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]ethyl]-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-[2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]ethyl]-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 366.48 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]ethyl]-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 122181333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).