5-[[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]amino]-2,4-difluorobenzamide

C24H19F2N3O2 — CID 56570320

IUPAC5-[[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]amino]-2,4-difluorobenzamide
SMILESCCn1c2ccccc2c2cc(/C=C/C(=O)Nc3cc(C(N)=O)c(F)cc3F)ccc21
InChIInChI=1S/C24H19F2N3O2/c1-2-29-21-6-4-3-5-15(21)16-11-14(7-9-22(16)29)8-10-23(30)28-20-12-17(24(27)31)18(25)13-19(20)26/h3-13H,2H2,1H3,(H2,27,31)(H,28,30)/b10-8+
InChIKeyMCYIGXONHHXUFO-CSKARUKUSA-N
MW419.43 g/mol
LogP4.84
Rot. Bonds5

About 5-[[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]amino]-2,4-difluorobenzamide

5-[[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]amino]-2,4-difluorobenzamide (PubChem CID 56570320) has the molecular formula C24H19F2N3O2 and a molecular weight of 419.43 g/mol. Its IUPAC name is 5-[[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]amino]-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-[[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]amino]-2,4-difluorobenzamide
PubChem CID56570320
Molecular FormulaC24H19F2N3O2
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Name5-[[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]amino]-2,4-difluorobenzamide
SMILESCCn1c2ccccc2c2cc(/C=C/C(=O)Nc3cc(C(N)=O)c(F)cc3F)ccc21
InChIInChI=1S/C24H19F2N3O2/c1-2-29-21-6-4-3-5-15(21)16-11-14(7-9-22(16)29)8-10-23(30)28-20-12-17(24(27)31)18(25)13-19(20)26/h3-13H,2H2,1H3,(H2,27,31)(H,28,30)/b10-8+
InChIKeyMCYIGXONHHXUFO-CSKARUKUSA-N
XLogP4.84
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 60607360
(E)-N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 17164828
(E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 55394225
1-(2-aminophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one
CID 71372095
(E)-3-(9-ethylcarbazol-3-yl)-N-(2-methoxyethyl)prop-2-enamide
CID 29198621
N-[3-(dimethylamino)propyl]-3-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 72684242
5-(but-2-enoylamino)-2,4-difluorobenzamide
CID 78952252
(E)-3-(9-ethylcarbazol-3-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enamide
CID 34075573
(3E)-4-(9-ethylcarbazol-3-yl)buta-1,3-diene-1,1,2-tricarbonitrile
CID 171377802
5-[[(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoyl]amino]-2,4-difluorobenzamide
CID 56570425
[[(1E,4E)-1,5-bis(9-ethylcarbazol-3-yl)penta-1,4-dien-3-ylidene]amino] benzoate
CID 156769873
2,4-difluoro-5-[[(E)-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]amino]benzamide
CID 56570754

Frequently Asked Questions

What is the IUPAC name of 5-[[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]amino]-2,4-difluorobenzamide?
The IUPAC name of 5-[[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]amino]-2,4-difluorobenzamide (CID 56570320) is 5-[[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]amino]-2,4-difluorobenzamide.
What is the SMILES notation for 5-[[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]amino]-2,4-difluorobenzamide?
The canonical SMILES for 5-[[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]amino]-2,4-difluorobenzamide is CCn1c2ccccc2c2cc(/C=C/C(=O)Nc3cc(C(N)=O)c(F)cc3F)ccc21.
What is the InChIKey of 5-[[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]amino]-2,4-difluorobenzamide?
The InChIKey is MCYIGXONHHXUFO-CSKARUKUSA-N. The full InChI is InChI=1S/C24H19F2N3O2/c1-2-29-21-6-4-3-5-15(21)16-11-14(7-9-22(16)29)8-10-23(30)28-20-12-17(24(27)31)18(25)13-19(20)26/h3-13H,2H2,1H3,(H2,27,31)(H,28,30)/b10-8+.
What are the key properties of 5-[[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]amino]-2,4-difluorobenzamide?
5-[[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]amino]-2,4-difluorobenzamide has a molecular weight of 419.43 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]amino]-2,4-difluorobenzamide is sourced from PubChem (CID 56570320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).