1-[(2,4-difluorophenyl)methyl]-4-prop-2-enoxy-N-propylindole-2-carboxamide

C22H22F2N2O2 — CID 42805833

IUPAC1-[(2,4-difluorophenyl)methyl]-4-prop-2-enoxy-N-propylindole-2-carboxamide
SMILESC=CCOc1cccc2c1cc(C(=O)NCCC)n2Cc1ccc(F)cc1F
InChIInChI=1S/C22H22F2N2O2/c1-3-10-25-22(27)20-13-17-19(6-5-7-21(17)28-11-4-2)26(20)14-15-8-9-16(23)12-18(15)24/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,25,27)
InChIKeyUJPFUUMVFWJNGV-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.67
Rot. Bonds8

About 1-[(2,4-difluorophenyl)methyl]-4-prop-2-enoxy-N-propylindole-2-carboxamide

1-[(2,4-difluorophenyl)methyl]-4-prop-2-enoxy-N-propylindole-2-carboxamide (PubChem CID 42805833) has the molecular formula C22H22F2N2O2 and a molecular weight of 384.43 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-4-prop-2-enoxy-N-propylindole-2-carboxamide.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-4-prop-2-enoxy-N-propylindole-2-carboxamide
PubChem CID42805833
Molecular FormulaC22H22F2N2O2
Molecular Weight384.43 g/mol
Exact Mass384.16
IUPAC Name1-[(2,4-difluorophenyl)methyl]-4-prop-2-enoxy-N-propylindole-2-carboxamide
SMILESC=CCOc1cccc2c1cc(C(=O)NCCC)n2Cc1ccc(F)cc1F
InChIInChI=1S/C22H22F2N2O2/c1-3-10-25-22(27)20-13-17-19(6-5-7-21(17)28-11-4-2)26(20)14-15-8-9-16(23)12-18(15)24/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,25,27)
InChIKeyUJPFUUMVFWJNGV-UHFFFAOYSA-N
XLogP4.67
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42667169
1-[(3,4-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42807293
N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42667137
[1-[(2,5-difluorophenyl)methyl]-4-prop-2-enoxyindol-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42667233
[1-[(2,6-difluorophenyl)methyl]-4-prop-2-enoxyindol-2-yl]-pyrrolidin-1-ylmethanone
CID 42667209
N-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42807262
N-(3,4-dimethylphenyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide
CID 42804621
N-tert-butyl-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42667127
1-[(Z)-but-2-enyl]-N-(2-methylpropyl)-4-prop-2-enoxyindole-2-carboxamide
CID 42807253
4-prop-2-enoxy-N-(2-pyridin-2-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
CID 42667040
N-[(2R)-butan-2-yl]-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 93127425
N-[(2S)-butan-2-yl]-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 93127426

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-4-prop-2-enoxy-N-propylindole-2-carboxamide?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-4-prop-2-enoxy-N-propylindole-2-carboxamide (CID 42805833) is 1-[(2,4-difluorophenyl)methyl]-4-prop-2-enoxy-N-propylindole-2-carboxamide.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-4-prop-2-enoxy-N-propylindole-2-carboxamide?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-4-prop-2-enoxy-N-propylindole-2-carboxamide is C=CCOc1cccc2c1cc(C(=O)NCCC)n2Cc1ccc(F)cc1F.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-4-prop-2-enoxy-N-propylindole-2-carboxamide?
The InChIKey is UJPFUUMVFWJNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O2/c1-3-10-25-22(27)20-13-17-19(6-5-7-21(17)28-11-4-2)26(20)14-15-8-9-16(23)12-18(15)24/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,25,27).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-4-prop-2-enoxy-N-propylindole-2-carboxamide?
1-[(2,4-difluorophenyl)methyl]-4-prop-2-enoxy-N-propylindole-2-carboxamide has a molecular weight of 384.43 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-4-prop-2-enoxy-N-propylindole-2-carboxamide is sourced from PubChem (CID 42805833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).