1-[(E)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoyl]-N-hydroxy-2,3-dihydroindole-5-carboxamide

C24H18ClFN2O3 — CID 88922913

IUPAC1-[(E)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoyl]-N-hydroxy-2,3-dihydroindole-5-carboxamide
SMILESO=C(NO)c1ccc2c(c1)CCN2C(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H18ClFN2O3/c25-19-6-1-15(2-7-19)13-21(16-3-8-20(26)9-4-16)24(30)28-12-11-17-14-18(23(29)27-31)5-10-22(17)28/h1-10,13-14,31H,11-12H2,(H,27,29)/b21-13+
InChIKeyFADIAWXQWHLVFN-FYJGNVAPSA-N
MW436.87 g/mol
LogP4.73
Rot. Bonds4

About 1-[(E)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoyl]-N-hydroxy-2,3-dihydroindole-5-carboxamide

1-[(E)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoyl]-N-hydroxy-2,3-dihydroindole-5-carboxamide (PubChem CID 88922913) has the molecular formula C24H18ClFN2O3 and a molecular weight of 436.87 g/mol. Its IUPAC name is 1-[(E)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoyl]-N-hydroxy-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-[(E)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoyl]-N-hydroxy-2,3-dihydroindole-5-carboxamide
PubChem CID88922913
Molecular FormulaC24H18ClFN2O3
Molecular Weight436.87 g/mol
Exact Mass436.10
IUPAC Name1-[(E)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoyl]-N-hydroxy-2,3-dihydroindole-5-carboxamide
SMILESO=C(NO)c1ccc2c(c1)CCN2C(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H18ClFN2O3/c25-19-6-1-15(2-7-19)13-21(16-3-8-20(26)9-4-16)24(30)28-12-11-17-14-18(23(29)27-31)5-10-22(17)28/h1-10,13-14,31H,11-12H2,(H,27,29)/b21-13+
InChIKeyFADIAWXQWHLVFN-FYJGNVAPSA-N
XLogP4.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.87
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[3-(3-fluorophenyl)-2-phenylprop-2-enoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 72680244
5-[2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-furo[3,2-c]pyridine-2-carboxamide
CID 88923051
N-hydroxy-2-[3-phenyl-2-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 123238274
(5-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-fluorophenyl)methanone
CID 82875817
N-[2-(4-chlorophenyl)sulfanylethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55790102
1-acetyl-N-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide
CID 55903162
2-[(E)-3-(2,4-dimethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 71454842
1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethane-1,2-dione
CID 82123544
2-[2-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 123253420
1-acetyl-N-[1-(4-chlorophenyl)propyl]-2,3-dihydroindole-5-carboxamide
CID 55497593
4-[[[(E)-3-[4-[(E)-2-(4-fluorophenyl)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]amino]methyl]-N-hydroxybenzamide
CID 25271482
N-(4-chlorobenzoyl)-2,3-dihydroindole-1-carboxamide
CID 23992308

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoyl]-N-hydroxy-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-[(E)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoyl]-N-hydroxy-2,3-dihydroindole-5-carboxamide (CID 88922913) is 1-[(E)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoyl]-N-hydroxy-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-[(E)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoyl]-N-hydroxy-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-[(E)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoyl]-N-hydroxy-2,3-dihydroindole-5-carboxamide is O=C(NO)c1ccc2c(c1)CCN2C(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-[(E)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoyl]-N-hydroxy-2,3-dihydroindole-5-carboxamide?
The InChIKey is FADIAWXQWHLVFN-FYJGNVAPSA-N. The full InChI is InChI=1S/C24H18ClFN2O3/c25-19-6-1-15(2-7-19)13-21(16-3-8-20(26)9-4-16)24(30)28-12-11-17-14-18(23(29)27-31)5-10-22(17)28/h1-10,13-14,31H,11-12H2,(H,27,29)/b21-13+.
What are the key properties of 1-[(E)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoyl]-N-hydroxy-2,3-dihydroindole-5-carboxamide?
1-[(E)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoyl]-N-hydroxy-2,3-dihydroindole-5-carboxamide has a molecular weight of 436.87 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoyl]-N-hydroxy-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 88922913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).