(E)-N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)prop-2-enamide

C23H19FN2O — CID 17164828

IUPAC(E)-N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)prop-2-enamide
SMILESCCn1c2ccccc2c2cc(NC(=O)/C=C/c3ccc(F)cc3)ccc21
InChIInChI=1S/C23H19FN2O/c1-2-26-21-6-4-3-5-19(21)20-15-18(12-13-22(20)26)25-23(27)14-9-16-7-10-17(24)11-8-16/h3-15H,2H2,1H3,(H,25,27)/b14-9+
InChIKeyHCVMWPMXKPANFG-NTEUORMPSA-N
MW358.42 g/mol
LogP5.61
Rot. Bonds4

About (E)-N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)prop-2-enamide

(E)-N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 17164828) has the molecular formula C23H19FN2O and a molecular weight of 358.42 g/mol. Its IUPAC name is (E)-N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)prop-2-enamide
PubChem CID17164828
Molecular FormulaC23H19FN2O
Molecular Weight358.42 g/mol
Exact Mass358.15
IUPAC Name(E)-N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)prop-2-enamide
SMILESCCn1c2ccccc2c2cc(NC(=O)/C=C/c3ccc(F)cc3)ccc21
InChIInChI=1S/C23H19FN2O/c1-2-26-21-6-4-3-5-19(21)20-15-18(12-13-22(20)26)25-23(27)14-9-16-7-10-17(24)11-8-16/h3-15H,2H2,1H3,(H,25,27)/b14-9+
InChIKeyHCVMWPMXKPANFG-NTEUORMPSA-N
XLogP5.61
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.42
LogP ≤ 55.61
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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Related Compounds

(E)-3-(9-ethylcarbazol-3-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enamide
CID 34075573
5-[[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]amino]-2,4-difluorobenzamide
CID 56570320
(E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 55394225
(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 33248445
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
(E)-N-dibenzofuran-2-yl-3-(4-fluorophenyl)prop-2-enamide
CID 16552380
N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 46920240
N-(9-ethylcarbazol-3-yl)-2-(4-fluorophenoxy)butanamide
CID 17166239
(E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 2671059
(E)-4-[4-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22785050
N-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 4695232
(E)-3-(9-ethylcarbazol-3-yl)-N-(2-methoxyethyl)prop-2-enamide
CID 29198621

Frequently Asked Questions

What is the IUPAC name of (E)-N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)prop-2-enamide (CID 17164828) is (E)-N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)prop-2-enamide is CCn1c2ccccc2c2cc(NC(=O)/C=C/c3ccc(F)cc3)ccc21.
What is the InChIKey of (E)-N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is HCVMWPMXKPANFG-NTEUORMPSA-N. The full InChI is InChI=1S/C23H19FN2O/c1-2-26-21-6-4-3-5-19(21)20-15-18(12-13-22(20)26)25-23(27)14-9-16-7-10-17(24)11-8-16/h3-15H,2H2,1H3,(H,25,27)/b14-9+.
What are the key properties of (E)-N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 358.42 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 17164828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).